(2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide

C10H18N2OS — CID 103950535

IUPAC(2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC1CC=CC1
InChIInChI=1S/C10H18N2OS/c1-14-7-6-9(11)10(13)12-8-4-2-3-5-8/h2-3,8-9H,4-7,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyQHFOITOYJNMXGK-VIFPVBQESA-N
MW214.33 g/mol
LogP0.90
Rot. Bonds5

About (2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide

(2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide (PubChem CID 103950535) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide
PubChem CID103950535
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name(2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC1CC=CC1
InChIInChI=1S/C10H18N2OS/c1-14-7-6-9(11)10(13)12-8-4-2-3-5-8/h2-3,8-9H,4-7,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyQHFOITOYJNMXGK-VIFPVBQESA-N
XLogP0.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
(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
(2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 104910598
(2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 104908109
(2R)-2-amino-N-(cyclohex-3-en-1-ylmethyl)-4-methylsulfanylbutanamide
CID 104908311
(2S)-2-amino-4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)butanamide
CID 106187684
(2S)-2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-methylsulfanylbutanamide
CID 119900300
(2S)-2-amino-4-methylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 61177899
2-amino-N-hydroxy-4-methylsulfanylbutanamide;hydrochloride
CID 87530289
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide (CID 103950535) is (2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)NC1CC=CC1.
What is the InChIKey of (2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide?
The InChIKey is QHFOITOYJNMXGK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N2OS/c1-14-7-6-9(11)10(13)12-8-4-2-3-5-8/h2-3,8-9H,4-7,11H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide?
(2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide has a molecular weight of 214.33 g/mol, XLogP of 0.90, 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-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide is sourced from PubChem (CID 103950535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).