[(1R,2R,3S)-2,3-dimethylcyclohexyl]-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium

C18H30N3O3S+ — CID 11920597

IUPAC[(1R,2R,3S)-2,3-dimethylcyclohexyl]-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium
SMILESC[C@@H]1[C@@H](C)CCC[C@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H29N3O3S/c1-13-7-5-10-17(14(13)2)19-12-18(22)20-15-8-6-9-16(11-15)25(23,24)21(3)4/h6,8-9,11,13-14,17,19H,5,7,10,12H2,1-4H3,(H,20,22)/p+1/t13-,14+,17+/m0/s1
InChIKeyVMFGFLCXPLOUOF-JJRVBVJISA-O
MW368.52 g/mol
LogP1.26
Rot. Bonds6

About [(1R,2R,3S)-2,3-dimethylcyclohexyl]-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium

[(1R,2R,3S)-2,3-dimethylcyclohexyl]-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium (PubChem CID 11920597) has the molecular formula C18H30N3O3S+ and a molecular weight of 368.52 g/mol. Its IUPAC name is [(1R,2R,3S)-2,3-dimethylcyclohexyl]-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R,2R,3S)-2,3-dimethylcyclohexyl]-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium
PubChem CID11920597
Molecular FormulaC18H30N3O3S+
Molecular Weight368.52 g/mol
Exact Mass368.20
IUPAC Name[(1R,2R,3S)-2,3-dimethylcyclohexyl]-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium
SMILESC[C@@H]1[C@@H](C)CCC[C@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H29N3O3S/c1-13-7-5-10-17(14(13)2)19-12-18(22)20-15-8-6-9-16(11-15)25(23,24)21(3)4/h6,8-9,11,13-14,17,19H,5,7,10,12H2,1-4H3,(H,20,22)/p+1/t13-,14+,17+/m0/s1
InChIKeyVMFGFLCXPLOUOF-JJRVBVJISA-O
XLogP1.26
TPSA83.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1R,2R,3S)-2,3-dimethylcyclohexyl]-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium with MolForge

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Related Compounds

1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 11914394
2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8763703
2-cyclohexylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8705717
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119672943
trans-(1S,2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 9093768
4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 24819422
trans-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8020632
2-(azepan-1-ium-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8895996
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 11936521
(2S)-N-[3-(dimethylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 8961578
2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 56570187
[(1R,2R,3R)-2,3-dimethylcyclohexyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 11939600

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3S)-2,3-dimethylcyclohexyl]-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium?
The IUPAC name of [(1R,2R,3S)-2,3-dimethylcyclohexyl]-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium (CID 11920597) is [(1R,2R,3S)-2,3-dimethylcyclohexyl]-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1R,2R,3S)-2,3-dimethylcyclohexyl]-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium?
The canonical SMILES for [(1R,2R,3S)-2,3-dimethylcyclohexyl]-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium is C[C@@H]1[C@@H](C)CCC[C@H]1[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of [(1R,2R,3S)-2,3-dimethylcyclohexyl]-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium?
The InChIKey is VMFGFLCXPLOUOF-JJRVBVJISA-O. The full InChI is InChI=1S/C18H29N3O3S/c1-13-7-5-10-17(14(13)2)19-12-18(22)20-15-8-6-9-16(11-15)25(23,24)21(3)4/h6,8-9,11,13-14,17,19H,5,7,10,12H2,1-4H3,(H,20,22)/p+1/t13-,14+,17+/m0/s1.
What are the key properties of [(1R,2R,3S)-2,3-dimethylcyclohexyl]-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium?
[(1R,2R,3S)-2,3-dimethylcyclohexyl]-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium has a molecular weight of 368.52 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3S)-2,3-dimethylcyclohexyl]-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium is sourced from PubChem (CID 11920597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).