(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide

C10H20N2OS — CID 22691834

IUPAC(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC1CCCC1
InChIInChI=1S/C10H20N2OS/c1-14-7-6-9(11)10(13)12-8-4-2-3-5-8/h8-9H,2-7,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyVALMYUPSTXEHJS-VIFPVBQESA-N
MW216.35 g/mol
LogP1.13
Rot. Bonds5

About (2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide

(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide (PubChem CID 22691834) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
PubChem CID22691834
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC1CCCC1
InChIInChI=1S/C10H20N2OS/c1-14-7-6-9(11)10(13)12-8-4-2-3-5-8/h8-9H,2-7,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyVALMYUPSTXEHJS-VIFPVBQESA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
(2S)-2-amino-N-[2-(cyclohexylamino)-2-oxoethyl]-4-methylsulfanylbutanamide
CID 119309564
(2R)-2-amino-N-(1,1-dioxothian-4-yl)-4-methylsulfanylbutanamide
CID 104907039
(2R)-N-(1-acetylpiperidin-4-yl)-2-amino-4-methylsulfanylbutanamide
CID 104907401
(2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide
CID 103950535
(2S)-2-amino-N-[(1S)-1-cycloheptylethyl]-4-methylsulfanylbutanamide
CID 81391661
(2R)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-methylsulfanylbutanamide
CID 104908828
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide
CID 81393379
(2S)-2-amino-N-(1-cyclohexylpropyl)-4-methylsulfanylbutanamide
CID 62406341
(2S)-2-amino-4-methylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 61177899
(2S)-2-(carbamoylamino)-N-cycloheptyl-4-methylsulfanylbutanamide
CID 9218034
(2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 104908109

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide (CID 22691834) is (2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)NC1CCCC1.
What is the InChIKey of (2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide?
The InChIKey is VALMYUPSTXEHJS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2OS/c1-14-7-6-9(11)10(13)12-8-4-2-3-5-8/h8-9H,2-7,11H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide?
(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide has a molecular weight of 216.35 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 22691834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).