(2S)-2-amino-3-cyclohexyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide

C13H27N3O3S — CID 56759047

IUPAC(2S)-2-amino-3-cyclohexyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide
SMILESCN(CCNC(=O)[C@@H](N)CC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C13H27N3O3S/c1-16(20(2,18)19)9-8-15-13(17)12(14)10-11-6-4-3-5-7-11/h11-12H,3-10,14H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyOEVQUQPMVULNMP-LBPRGKRZSA-N
MW305.44 g/mol
LogP0.29
Rot. Bonds7

About (2S)-2-amino-3-cyclohexyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide

(2S)-2-amino-3-cyclohexyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide (PubChem CID 56759047) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclohexyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-cyclohexyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide
PubChem CID56759047
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name(2S)-2-amino-3-cyclohexyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide
SMILESCN(CCNC(=O)[C@@H](N)CC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C13H27N3O3S/c1-16(20(2,18)19)9-8-15-13(17)12(14)10-11-6-4-3-5-7-11/h11-12H,3-10,14H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyOEVQUQPMVULNMP-LBPRGKRZSA-N
XLogP0.29
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cyclohexanecarboxylic acid (1-ethanesulfonyl-piperidin-4-yl)-amide
CID 645503
N-[1-Cyclopentyl-2-[4-(methylsulfonyl)-1-piperazinyl]-2-oxoethyl]acetamide
CID 45805462
3-cyclohexyl-N-[2-(methanesulfonamido)ethyl]butanamide
CID 53551837
3-cyclohexyl-N-(2-sulfamoylethyl)butanamide
CID 53565503
(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-methylsulfonylpiperazine-2-carboxamide
CID 11912134
3-Cyclopentyl-N-{4-[(dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}propanamide
CID 91911002
(8aR,12aS)-1-methylsulfonyl-2,3,4,5,6,7,8a,9,10,11,12,12a-dodecahydrobenzo[b][1,5]diazecin-8-one
CID 110201316
(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanamide
CID 42578187
N-[2-(propan-2-ylsulfamoylamino)ethyl]cycloheptanecarboxamide
CID 121587545
cis-(1S,2R)-2-cyclopropyl-N-[[2-(methanesulfonamido)cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 128528947
(2S)-2-(2-cyclohexylethylsulfonylamino)-N-ethylpropanamide
CID 164634357
(2S)-N-(cyanomethyl)-3-cyclohexyl-2-(trifluoromethylsulfonylamino)propanamide
CID 23383132

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-cyclohexyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide?
The IUPAC name of (2S)-2-amino-3-cyclohexyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide (CID 56759047) is (2S)-2-amino-3-cyclohexyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-cyclohexyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-cyclohexyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide is CN(CCNC(=O)[C@@H](N)CC1CCCCC1)S(C)(=O)=O.
What is the InChIKey of (2S)-2-amino-3-cyclohexyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide?
The InChIKey is OEVQUQPMVULNMP-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-16(20(2,18)19)9-8-15-13(17)12(14)10-11-6-4-3-5-7-11/h11-12H,3-10,14H2,1-2H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-cyclohexyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide?
(2S)-2-amino-3-cyclohexyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide has a molecular weight of 305.44 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-cyclohexyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide is sourced from PubChem (CID 56759047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).