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

C9H19ClN2OS — CID 119313242

IUPAC4-amino-N-(thian-4-yl)butanamide;hydrochloride
SMILESCl.NCCCC(=O)NC1CCSCC1
InChIInChI=1S/C9H18N2OS.ClH/c10-5-1-2-9(12)11-8-3-6-13-7-4-8;/h8H,1-7,10H2,(H,11,12);1H
InChIKeyWMVAKMQPCHIQDF-UHFFFAOYSA-N
MW238.78 g/mol
LogP1.16
Rot. Bonds4

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

4-amino-N-(thian-4-yl)butanamide;hydrochloride (PubChem CID 119313242) has the molecular formula C9H19ClN2OS and a molecular weight of 238.78 g/mol. Its IUPAC name is 4-amino-N-(thian-4-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(thian-4-yl)butanamide;hydrochloride
PubChem CID119313242
Molecular FormulaC9H19ClN2OS
Molecular Weight238.78 g/mol
Exact Mass238.09
IUPAC Name4-amino-N-(thian-4-yl)butanamide;hydrochloride
SMILESCl.NCCCC(=O)NC1CCSCC1
InChIInChI=1S/C9H18N2OS.ClH/c10-5-1-2-9(12)11-8-3-6-13-7-4-8;/h8H,1-7,10H2,(H,11,12);1H
InChIKeyWMVAKMQPCHIQDF-UHFFFAOYSA-N
XLogP1.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(thian-4-yl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(thian-4-yl)butanamide;hydrochloride (CID 119313242) is 4-amino-N-(thian-4-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(thian-4-yl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(thian-4-yl)butanamide;hydrochloride is Cl.NCCCC(=O)NC1CCSCC1.
What is the InChIKey of 4-amino-N-(thian-4-yl)butanamide;hydrochloride?
The InChIKey is WMVAKMQPCHIQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS.ClH/c10-5-1-2-9(12)11-8-3-6-13-7-4-8;/h8H,1-7,10H2,(H,11,12);1H.
What are the key properties of 4-amino-N-(thian-4-yl)butanamide;hydrochloride?
4-amino-N-(thian-4-yl)butanamide;hydrochloride has a molecular weight of 238.78 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(thian-4-yl)butanamide;hydrochloride is sourced from PubChem (CID 119313242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).