N-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C18H27ClN2OS — CID 119782670

IUPACN-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)NCC1(Sc2ccccc2)CCCC1
InChIInChI=1S/C18H26N2OS.ClH/c21-17(13-15-7-6-12-19-15)20-14-18(10-4-5-11-18)22-16-8-2-1-3-9-16;/h1-3,8-9,15,19H,4-7,10-14H2,(H,20,21);1H
InChIKeyRBBLDZDDZLWYKM-UHFFFAOYSA-N
MW354.95 g/mol
LogP3.77
Rot. Bonds6

About N-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119782670) has the molecular formula C18H27ClN2OS and a molecular weight of 354.95 g/mol. Its IUPAC name is N-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119782670
Molecular FormulaC18H27ClN2OS
Molecular Weight354.95 g/mol
Exact Mass354.15
IUPAC NameN-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)NCC1(Sc2ccccc2)CCCC1
InChIInChI=1S/C18H26N2OS.ClH/c21-17(13-15-7-6-12-19-15)20-14-18(10-4-5-11-18)22-16-8-2-1-3-9-16;/h1-3,8-9,15,19H,4-7,10-14H2,(H,20,21);1H
InChIKeyRBBLDZDDZLWYKM-UHFFFAOYSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.95
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119323178
N-[(1-methylsulfanylcyclohexyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 114116236
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 113293895
N-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide
CID 119804444
1-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119782632
N-[(1-ethylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119812251
N-[(2-phenylsulfanylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119777713
N-[(4-methylsulfanyloxan-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119805571
N-[(1-phenylsulfanylcyclopropyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119323172
N-[(1-phenylsulfanylcyclopentyl)methyl]morpholine-3-carboxamide
CID 119782639
N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119770594
2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride
CID 119782892

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119782670) is N-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is Cl.O=C(CC1CCCN1)NCC1(Sc2ccccc2)CCCC1.
What is the InChIKey of N-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is RBBLDZDDZLWYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS.ClH/c21-17(13-15-7-6-12-19-15)20-14-18(10-4-5-11-18)22-16-8-2-1-3-9-16;/h1-3,8-9,15,19H,4-7,10-14H2,(H,20,21);1H.
What are the key properties of N-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 354.95 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119782670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).