N-[(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C19H33N5O6S2 — CID 55938540

IUPACN-[(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C19H33N5O6S2/c1-14-18(16(3)30-20-14)31(26,27)21-15(2)19(25)23-10-12-24(13-11-23)32(28,29)22(4)17-8-6-5-7-9-17/h15,17,21H,5-13H2,1-4H3/t15-/m0/s1
InChIKeyIXKIIIBHQSWOBM-HNNXBMFYSA-N
MW491.64 g/mol
LogP0.61
Rot. Bonds7

About N-[(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 55938540) has the molecular formula C19H33N5O6S2 and a molecular weight of 491.64 g/mol. Its IUPAC name is N-[(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID55938540
Molecular FormulaC19H33N5O6S2
Molecular Weight491.64 g/mol
Exact Mass491.19
IUPAC NameN-[(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C19H33N5O6S2/c1-14-18(16(3)30-20-14)31(26,27)21-15(2)19(25)23-10-12-24(13-11-23)32(28,29)22(4)17-8-6-5-7-9-17/h15,17,21H,5-13H2,1-4H3/t15-/m0/s1
InChIKeyIXKIIIBHQSWOBM-HNNXBMFYSA-N
XLogP0.61
TPSA133.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethyl-N-[(2S)-1-[(4S)-4-methylazepan-1-yl]-1-oxopropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 95040873
N-[(2S)-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 55938383
N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 33241393
N-[1-[4-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 119423221
tert-butyl N-[1-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 55599270
3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide
CID 30085204
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 120815178
3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide
CID 37045713
N-cyclohexyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 2814174
N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 46601458
3,5-dimethyl-N-[(2S)-1-(3-methyl-2-phenylazetidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 102558465
cis-(1S,3R)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]cyclopentane-1-carboxylic acid
CID 120676458

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 55938540) is N-[(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1.
What is the InChIKey of N-[(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is IXKIIIBHQSWOBM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H33N5O6S2/c1-14-18(16(3)30-20-14)31(26,27)21-15(2)19(25)23-10-12-24(13-11-23)32(28,29)22(4)17-8-6-5-7-9-17/h15,17,21H,5-13H2,1-4H3/t15-/m0/s1.
What are the key properties of N-[(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 491.64 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 55938540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).