3-amino-N-(thian-4-yl)cyclopentane-1-carboxamide;hydrochloride

C11H21ClN2OS — CID 119765678

IUPAC3-amino-N-(thian-4-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NC2CCSCC2)C1
InChIInChI=1S/C11H20N2OS.ClH/c12-9-2-1-8(7-9)11(14)13-10-3-5-15-6-4-10;/h8-10H,1-7,12H2,(H,13,14);1H
InChIKeyKVHCQOVEFSREKK-UHFFFAOYSA-N
MW264.82 g/mol
LogP1.55
Rot. Bonds2

About 3-amino-N-(thian-4-yl)cyclopentane-1-carboxamide;hydrochloride

3-amino-N-(thian-4-yl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119765678) has the molecular formula C11H21ClN2OS and a molecular weight of 264.82 g/mol. Its IUPAC name is 3-amino-N-(thian-4-yl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(thian-4-yl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119765678
Molecular FormulaC11H21ClN2OS
Molecular Weight264.82 g/mol
Exact Mass264.11
IUPAC Name3-amino-N-(thian-4-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NC2CCSCC2)C1
InChIInChI=1S/C11H20N2OS.ClH/c12-9-2-1-8(7-9)11(14)13-10-3-5-15-6-4-10;/h8-10H,1-7,12H2,(H,13,14);1H
InChIKeyKVHCQOVEFSREKK-UHFFFAOYSA-N
XLogP1.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.82
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
CID 119812000
4-[(3-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxamide
CID 66032881
3-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide
CID 66032491
4-amino-N-cyclopropylcyclohexane-1-carboxamide;hydrochloride
CID 66868284
3-amino-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 130840798
3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393
3-amino-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 130840799
N-(thian-4-yl)piperidine-4-carboxamide;hydrochloride
CID 119313224
3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide
CID 63043224
methyl 3-[(3-aminocyclopentanecarbonyl)amino]cyclopentane-1-carboxylate
CID 169045886
3-amino-N-(1-methylpyrrolidin-3-yl)cyclopentane-1-carboxamide
CID 66007963
3-aminocyclopentane-1-carbohydrazide
CID 66010273

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(thian-4-yl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(thian-4-yl)cyclopentane-1-carboxamide;hydrochloride (CID 119765678) is 3-amino-N-(thian-4-yl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(thian-4-yl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(thian-4-yl)cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)NC2CCSCC2)C1.
What is the InChIKey of 3-amino-N-(thian-4-yl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is KVHCQOVEFSREKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS.ClH/c12-9-2-1-8(7-9)11(14)13-10-3-5-15-6-4-10;/h8-10H,1-7,12H2,(H,13,14);1H.
What are the key properties of 3-amino-N-(thian-4-yl)cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-(thian-4-yl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 264.82 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(thian-4-yl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119765678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).