N-[2-(dimethylamino)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride

C16H25ClN2OS — CID 3063653

IUPACN-[2-(dimethylamino)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride
SMILESCN(C)CCNC(=O)C1(Sc2ccccc2)CCCC1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-18(2)13-12-17-15(19)16(10-6-7-11-16)20-14-8-4-3-5-9-14;/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,17,19);1H
InChIKeyNXIFMJCIYZXOQO-UHFFFAOYSA-N
MW328.91 g/mol
LogP3.19
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride

N-[2-(dimethylamino)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 3063653) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride
PubChem CID3063653
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC NameN-[2-(dimethylamino)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride
SMILESCN(C)CCNC(=O)C1(Sc2ccccc2)CCCC1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-18(2)13-12-17-15(19)16(10-6-7-11-16)20-14-8-4-3-5-9-14;/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,17,19);1H
InChIKeyNXIFMJCIYZXOQO-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride (CID 3063653) is N-[2-(dimethylamino)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride is CN(C)CCNC(=O)C1(Sc2ccccc2)CCCC1.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is NXIFMJCIYZXOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS.ClH/c1-18(2)13-12-17-15(19)16(10-6-7-11-16)20-14-8-4-3-5-9-14;/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,17,19);1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride?
N-[2-(dimethylamino)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 328.91 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 3063653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).