N-(1-oxothiolan-3-yl)pyrrolidine-3-carboxamide;hydrochloride

C9H17ClN2O2S — CID 131203765

IUPACN-(1-oxothiolan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCS(=O)C1)C1CCNC1
InChIInChI=1S/C9H16N2O2S.ClH/c12-9(7-1-3-10-5-7)11-8-2-4-14(13)6-8;/h7-8,10H,1-6H2,(H,11,12);1H
InChIKeyIPSSCDSKAOHXOE-UHFFFAOYSA-N
MW252.77 g/mol
LogP-0.35
Rot. Bonds2

About N-(1-oxothiolan-3-yl)pyrrolidine-3-carboxamide;hydrochloride

N-(1-oxothiolan-3-yl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 131203765) has the molecular formula C9H17ClN2O2S and a molecular weight of 252.77 g/mol. Its IUPAC name is N-(1-oxothiolan-3-yl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-oxothiolan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID131203765
Molecular FormulaC9H17ClN2O2S
Molecular Weight252.77 g/mol
Exact Mass252.07
IUPAC NameN-(1-oxothiolan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCS(=O)C1)C1CCNC1
InChIInChI=1S/C9H16N2O2S.ClH/c12-9(7-1-3-10-5-7)11-8-2-4-14(13)6-8;/h7-8,10H,1-6H2,(H,11,12);1H
InChIKeyIPSSCDSKAOHXOE-UHFFFAOYSA-N
XLogP-0.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(3S)-N-cyclopropylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
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ethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride
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N-pyrrolidin-3-ylcyclopentanecarboxamide;hydrochloride
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N-(3,4-dimethylcyclohexyl)pyrrolidine-3-carboxamide
CID 64741940
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Frequently Asked Questions

What is the IUPAC name of N-(1-oxothiolan-3-yl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-oxothiolan-3-yl)pyrrolidine-3-carboxamide;hydrochloride (CID 131203765) is N-(1-oxothiolan-3-yl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-oxothiolan-3-yl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-oxothiolan-3-yl)pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NC1CCS(=O)C1)C1CCNC1.
What is the InChIKey of N-(1-oxothiolan-3-yl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is IPSSCDSKAOHXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S.ClH/c12-9(7-1-3-10-5-7)11-8-2-4-14(13)6-8;/h7-8,10H,1-6H2,(H,11,12);1H.
What are the key properties of N-(1-oxothiolan-3-yl)pyrrolidine-3-carboxamide;hydrochloride?
N-(1-oxothiolan-3-yl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 252.77 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxothiolan-3-yl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 131203765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).