(2S)-2-amino-N-(thian-3-yl)butanamide

C9H18N2OS — CID 103797750

IUPAC(2S)-2-amino-N-(thian-3-yl)butanamide
SMILESCC[C@H](N)C(=O)NC1CCCSC1
InChIInChI=1S/C9H18N2OS/c1-2-8(10)9(12)11-7-4-3-5-13-6-7/h7-8H,2-6,10H2,1H3,(H,11,12)/t7?,8-/m0/s1
InChIKeyXWJVOWZBKGXPDQ-MQWKRIRWSA-N
MW202.32 g/mol
LogP0.74
Rot. Bonds3

About (2S)-2-amino-N-(thian-3-yl)butanamide

(2S)-2-amino-N-(thian-3-yl)butanamide (PubChem CID 103797750) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(thian-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(thian-3-yl)butanamide
PubChem CID103797750
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name(2S)-2-amino-N-(thian-3-yl)butanamide
SMILESCC[C@H](N)C(=O)NC1CCCSC1
InChIInChI=1S/C9H18N2OS/c1-2-8(10)9(12)11-7-4-3-5-13-6-7/h7-8H,2-6,10H2,1H3,(H,11,12)/t7?,8-/m0/s1
InChIKeyXWJVOWZBKGXPDQ-MQWKRIRWSA-N
XLogP0.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(thian-4-yl)butanamide
CID 115734007
(2S)-2-amino-N-(thian-4-yl)butanamide;hydrochloride
CID 119313238
2-methyl-N-(thian-3-yl)propanamide
CID 115674781
(2S)-2-amino-4-phenyl-N-(thian-3-yl)butanamide
CID 104984848
2-(aminomethyl)-4-methyl-N-(thian-3-yl)pentanamide
CID 115740731
3-amino-4-oxo-4-(thiolan-3-ylamino)butanoic acid
CID 103063031
3-methyl-2-sulfanyl-N-(thian-3-yl)butanamide
CID 107035774
2-amino-N-(oxan-3-yl)butanamide
CID 63361393
(2R)-2-amino-N-piperidin-3-ylbutanamide
CID 131134417
1-(2-aminoethyl)-3-(thian-3-yl)urea
CID 117234777
4-methyl-2-methylidene-N-(thian-3-yl)pentanamide
CID 136571066
cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 106322701

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(thian-3-yl)butanamide?
The IUPAC name of (2S)-2-amino-N-(thian-3-yl)butanamide (CID 103797750) is (2S)-2-amino-N-(thian-3-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(thian-3-yl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(thian-3-yl)butanamide is CC[C@H](N)C(=O)NC1CCCSC1.
What is the InChIKey of (2S)-2-amino-N-(thian-3-yl)butanamide?
The InChIKey is XWJVOWZBKGXPDQ-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-2-8(10)9(12)11-7-4-3-5-13-6-7/h7-8H,2-6,10H2,1H3,(H,11,12)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(thian-3-yl)butanamide?
(2S)-2-amino-N-(thian-3-yl)butanamide has a molecular weight of 202.32 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(thian-3-yl)butanamide is sourced from PubChem (CID 103797750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).