2-amino-N-(thian-4-yl)butanamide

C9H18N2OS — CID 115734007

IUPAC2-amino-N-(thian-4-yl)butanamide
SMILESCCC(N)C(=O)NC1CCSCC1
InChIInChI=1S/C9H18N2OS/c1-2-8(10)9(12)11-7-3-5-13-6-4-7/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyKHLOWUFRPRDWPF-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.74
Rot. Bonds3

About 2-amino-N-(thian-4-yl)butanamide

2-amino-N-(thian-4-yl)butanamide (PubChem CID 115734007) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-amino-N-(thian-4-yl)butanamide.

Molecular Properties

Compound Name2-amino-N-(thian-4-yl)butanamide
PubChem CID115734007
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name2-amino-N-(thian-4-yl)butanamide
SMILESCCC(N)C(=O)NC1CCSCC1
InChIInChI=1S/C9H18N2OS/c1-2-8(10)9(12)11-7-3-5-13-6-4-7/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyKHLOWUFRPRDWPF-UHFFFAOYSA-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

(2S)-2-amino-N-(thian-4-yl)butanamide;hydrochloride
CID 119313238
(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
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
2-amino-3-methyl-N-(thian-4-yl)butanamide;hydrochloride
CID 119313239
3-amino-2-methyl-N-(thian-4-yl)butanamide;hydrochloride
CID 120500047
(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 2-amino-N-(thian-4-yl)butanamide?
The IUPAC name of 2-amino-N-(thian-4-yl)butanamide (CID 115734007) is 2-amino-N-(thian-4-yl)butanamide.
What is the SMILES notation for 2-amino-N-(thian-4-yl)butanamide?
The canonical SMILES for 2-amino-N-(thian-4-yl)butanamide is CCC(N)C(=O)NC1CCSCC1.
What is the InChIKey of 2-amino-N-(thian-4-yl)butanamide?
The InChIKey is KHLOWUFRPRDWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-2-8(10)9(12)11-7-3-5-13-6-4-7/h7-8H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 2-amino-N-(thian-4-yl)butanamide?
2-amino-N-(thian-4-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 2-amino-N-(thian-4-yl)butanamide is sourced from PubChem (CID 115734007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).