(2S)-2-amino-N-(thian-4-yl)butanamide;hydrochloride

C9H19ClN2OS — CID 119313238

IUPAC(2S)-2-amino-N-(thian-4-yl)butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NC1CCSCC1.Cl
InChIInChI=1S/C9H18N2OS.ClH/c1-2-8(10)9(12)11-7-3-5-13-6-4-7;/h7-8H,2-6,10H2,1H3,(H,11,12);1H/t8-;/m0./s1
InChIKeyKDHHRQNRTQNZMV-QRPNPIFTSA-N
MW238.78 g/mol
LogP1.16
Rot. Bonds3

About (2S)-2-amino-N-(thian-4-yl)butanamide;hydrochloride

(2S)-2-amino-N-(thian-4-yl)butanamide;hydrochloride (PubChem CID 119313238) has the molecular formula C9H19ClN2OS and a molecular weight of 238.78 g/mol. Its IUPAC name is (2S)-2-amino-N-(thian-4-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(thian-4-yl)butanamide;hydrochloride
PubChem CID119313238
Molecular FormulaC9H19ClN2OS
Molecular Weight238.78 g/mol
Exact Mass238.09
IUPAC Name(2S)-2-amino-N-(thian-4-yl)butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NC1CCSCC1.Cl
InChIInChI=1S/C9H18N2OS.ClH/c1-2-8(10)9(12)11-7-3-5-13-6-4-7;/h7-8H,2-6,10H2,1H3,(H,11,12);1H/t8-;/m0./s1
InChIKeyKDHHRQNRTQNZMV-QRPNPIFTSA-N
XLogP1.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.78
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(thian-4-yl)butanamide
CID 115734007
(2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide
CID 103833033
(2S)-2-amino-N-(thian-3-yl)butanamide
CID 103797750
(2R)-2-amino-N-(thian-4-yl)propanamide
CID 103796198
2-amino-3-methyl-N-(thian-4-yl)butanamide;hydrochloride
CID 119313239
3-amino-2-methyl-N-(thian-4-yl)butanamide;hydrochloride
CID 120500047
ethyl N-(thian-4-yl)carbamate
CID 115599837
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide
CID 79025256
(2S)-2-amino-3,3-dimethyl-N-(thian-4-yl)butanamide
CID 103810218
(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 79024824
cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 106322701
2-amino-3-(4-hydroxyphenyl)-N-(thian-4-yl)propanamide
CID 114350784

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(thian-4-yl)butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(thian-4-yl)butanamide;hydrochloride (CID 119313238) is (2S)-2-amino-N-(thian-4-yl)butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(thian-4-yl)butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(thian-4-yl)butanamide;hydrochloride is CC[C@H](N)C(=O)NC1CCSCC1.Cl.
What is the InChIKey of (2S)-2-amino-N-(thian-4-yl)butanamide;hydrochloride?
The InChIKey is KDHHRQNRTQNZMV-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H18N2OS.ClH/c1-2-8(10)9(12)11-7-3-5-13-6-4-7;/h7-8H,2-6,10H2,1H3,(H,11,12);1H/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(thian-4-yl)butanamide;hydrochloride?
(2S)-2-amino-N-(thian-4-yl)butanamide;hydrochloride has a molecular weight of 238.78 g/mol, XLogP of 1.16, 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-4-yl)butanamide;hydrochloride is sourced from PubChem (CID 119313238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).