(2S)-2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-methylsulfanylpropanamide

C17H32N2O3S — CID 139609418

IUPAC(2S)-2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-methylsulfanylpropanamide
SMILESCSC[C@@H](N)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1
InChIInChI=1S/C17H32N2O3S/c1-23-10-13(18)17(22)19-14(9-11-5-3-2-4-6-11)16(21)15(20)12-7-8-12/h11-16,20-21H,2-10,18H2,1H3,(H,19,22)/t13-,14+,15+,16-/m1/s1
InChIKeyRHARIHUNQKRCGG-FXUDXRNXSA-N
MW344.52 g/mol
LogP1.26
Rot. Bonds9

About (2S)-2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-methylsulfanylpropanamide

(2S)-2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-methylsulfanylpropanamide (PubChem CID 139609418) has the molecular formula C17H32N2O3S and a molecular weight of 344.52 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-methylsulfanylpropanamide
PubChem CID139609418
Molecular FormulaC17H32N2O3S
Molecular Weight344.52 g/mol
Exact Mass344.21
IUPAC Name(2S)-2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-methylsulfanylpropanamide
SMILESCSC[C@@H](N)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1
InChIInChI=1S/C17H32N2O3S/c1-23-10-13(18)17(22)19-14(9-11-5-3-2-4-6-11)16(21)15(20)12-7-8-12/h11-16,20-21H,2-10,18H2,1H3,(H,19,22)/t13-,14+,15+,16-/m1/s1
InChIKeyRHARIHUNQKRCGG-FXUDXRNXSA-N
XLogP1.26
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-methylsulfanylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-1-oxohexan-2-yl]carbamic acid
CID 70045269
(2S)-2-amino-N-[(2S,3R,4S)-4-cyclobutyl-1-cyclohexyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-5-yl)propanamide
CID 54482293
(2R)-2-amino-N-[1-[[(2S,3S,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 67723315
(2S)-2-[[(2S)-2-amino-3-cyclohexylpropanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-3-methylpentanamide
CID 10458991
methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
CID 171080468
(2R)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-methylsulfanylbutanamide
CID 104908828
tert-butyl N-[(2S,3S,4S,5S)-1,6-dicyclohexyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate
CID 15093368
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide
CID 81393379
(2S)-2-amino-N-[(1S)-1-cycloheptylethyl]-4-methylsulfanylbutanamide
CID 81391661
[(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl]carbamic acid
CID 70055412
(2R)-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)butanediamide
CID 67840502
(3S)-3-amino-4-[[(1S)-1-carboxy-2-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 22822514

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-methylsulfanylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-methylsulfanylpropanamide (CID 139609418) is (2S)-2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-methylsulfanylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-methylsulfanylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-methylsulfanylpropanamide is CSC[C@@H](N)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1.
What is the InChIKey of (2S)-2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-methylsulfanylpropanamide?
The InChIKey is RHARIHUNQKRCGG-FXUDXRNXSA-N. The full InChI is InChI=1S/C17H32N2O3S/c1-23-10-13(18)17(22)19-14(9-11-5-3-2-4-6-11)16(21)15(20)12-7-8-12/h11-16,20-21H,2-10,18H2,1H3,(H,19,22)/t13-,14+,15+,16-/m1/s1.
What are the key properties of (2S)-2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-methylsulfanylpropanamide?
(2S)-2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-methylsulfanylpropanamide has a molecular weight of 344.52 g/mol, XLogP of 1.26, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 139609418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).