(2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide

C12H24N2OS — CID 103812526

IUPAC(2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide
SMILESCSC1CCC(NC(=O)[C@@H](N)CC(C)C)C1
InChIInChI=1S/C12H24N2OS/c1-8(2)6-11(13)12(15)14-9-4-5-10(7-9)16-3/h8-11H,4-7,13H2,1-3H3,(H,14,15)/t9?,10?,11-/m0/s1
InChIKeyHYTXXRFQHCYZMI-ILDUYXDCSA-N
MW244.40 g/mol
LogP1.76
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide

(2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide (PubChem CID 103812526) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide
PubChem CID103812526
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name(2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide
SMILESCSC1CCC(NC(=O)[C@@H](N)CC(C)C)C1
InChIInChI=1S/C12H24N2OS/c1-8(2)6-11(13)12(15)14-9-4-5-10(7-9)16-3/h8-11H,4-7,13H2,1-3H3,(H,14,15)/t9?,10?,11-/m0/s1
InChIKeyHYTXXRFQHCYZMI-ILDUYXDCSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-methylsulfanylcyclopentyl)butanediamide
CID 103827747
cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 114173473
3-[(2-amino-4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
CID 55147492
2-amino-4-methyl-N-(oxan-4-yl)pentanamide
CID 43610149
2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide
CID 64750376
(2S)-2-amino-N-[3-(dimethylamino)cyclohexyl]-4-methylpentanamide;dihydrochloride
CID 119889118
(2S)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide
CID 104864648
(2R)-2-amino-4-methyl-N-(1-oxothian-4-yl)pentanamide
CID 104904016
1-[2-(2-methylpropoxy)ethyl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea
CID 96518459
(2R)-2-amino-N-(3-methylsulfanylcyclopentyl)-2-phenylacetamide
CID 103797785
(2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide
CID 79401066
2-amino-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 103797921

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide (CID 103812526) is (2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide is CSC1CCC(NC(=O)[C@@H](N)CC(C)C)C1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide?
The InChIKey is HYTXXRFQHCYZMI-ILDUYXDCSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-8(2)6-11(13)12(15)14-9-4-5-10(7-9)16-3/h8-11H,4-7,13H2,1-3H3,(H,14,15)/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide?
(2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide has a molecular weight of 244.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide is sourced from PubChem (CID 103812526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).