N-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride

C15H21ClN2OS — CID 119323178

IUPACN-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(Sc2ccccc2)CC1)C1CCCN1
InChIInChI=1S/C15H20N2OS.ClH/c18-14(13-7-4-10-16-13)17-11-15(8-9-15)19-12-5-2-1-3-6-12;/h1-3,5-6,13,16H,4,7-11H2,(H,17,18);1H
InChIKeyWRKAZLSLCDOWAI-UHFFFAOYSA-N
MW312.87 g/mol
LogP2.60
Rot. Bonds5

About N-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride

N-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119323178) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is N-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119323178
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC NameN-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(Sc2ccccc2)CC1)C1CCCN1
InChIInChI=1S/C15H20N2OS.ClH/c18-14(13-7-4-10-16-13)17-11-15(8-9-15)19-12-5-2-1-3-6-12;/h1-3,5-6,13,16H,4,7-11H2,(H,17,18);1H
InChIKeyWRKAZLSLCDOWAI-UHFFFAOYSA-N
XLogP2.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-phenylsulfanylcyclopropyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119323172
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CID 119782639
N-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119782670
N-[(1-phenylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 110481276
N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119293530
N-(2-phenylsulfanylethyl)pyrrolidine-2-carboxamide
CID 60717864
N-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119335474
3-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119782888
N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119315824
N-[[1-(2-bromophenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119333019
N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119820120
9-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989527

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119323178) is N-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCC1(Sc2ccccc2)CC1)C1CCCN1.
What is the InChIKey of N-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is WRKAZLSLCDOWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS.ClH/c18-14(13-7-4-10-16-13)17-11-15(8-9-15)19-12-5-2-1-3-6-12;/h1-3,5-6,13,16H,4,7-11H2,(H,17,18);1H.
What are the key properties of N-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 312.87 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119323178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).