N-[2-(2,5-dichlorophenyl)sulfanylpropyl]cyclopentanamine

C14H19Cl2NS — CID 55194771

IUPACN-[2-(2,5-dichlorophenyl)sulfanylpropyl]cyclopentanamine
SMILESCC(CNC1CCCC1)Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2NS/c1-10(9-17-12-4-2-3-5-12)18-14-8-11(15)6-7-13(14)16/h6-8,10,12,17H,2-5,9H2,1H3
InChIKeyIBDPSIAFZYFSPK-UHFFFAOYSA-N
MW304.29 g/mol
LogP5.01
Rot. Bonds5

About N-[2-(2,5-dichlorophenyl)sulfanylpropyl]cyclopentanamine

N-[2-(2,5-dichlorophenyl)sulfanylpropyl]cyclopentanamine (PubChem CID 55194771) has the molecular formula C14H19Cl2NS and a molecular weight of 304.29 g/mol. Its IUPAC name is N-[2-(2,5-dichlorophenyl)sulfanylpropyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(2,5-dichlorophenyl)sulfanylpropyl]cyclopentanamine
PubChem CID55194771
Molecular FormulaC14H19Cl2NS
Molecular Weight304.29 g/mol
Exact Mass303.06
IUPAC NameN-[2-(2,5-dichlorophenyl)sulfanylpropyl]cyclopentanamine
SMILESCC(CNC1CCCC1)Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2NS/c1-10(9-17-12-4-2-3-5-12)18-14-8-11(15)6-7-13(14)16/h6-8,10,12,17H,2-5,9H2,1H3
InChIKeyIBDPSIAFZYFSPK-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.29
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-difluorophenyl)sulfanylpropyl]cyclopentanamine
CID 62577788
(2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 7870552
N-[2-(2,4-dimethylphenyl)sulfanylpropyl]cyclopropanamine
CID 62583351
N-[2-(3,4-difluorophenyl)sulfanylpropyl]cyclopropanamine
CID 62576350
N-[2-(2-chloro-5-methylphenoxy)propyl]cyclohexanamine
CID 63517678
4-(2,5-dichlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64807198
N-[2-(4-chlorophenoxy)propyl]cyclohexanamine
CID 46736216
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylcyclohexan-1-amine
CID 55026692
2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119427017
N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]cyclohexanamine
CID 62581167
N-[2-(2-bromophenyl)sulfanylpropyl]cyclopropanamine
CID 62578432
N-[2-[(4-chlorophenyl)methoxy]propyl]cyclopentanamine
CID 65125616

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichlorophenyl)sulfanylpropyl]cyclopentanamine?
The IUPAC name of N-[2-(2,5-dichlorophenyl)sulfanylpropyl]cyclopentanamine (CID 55194771) is N-[2-(2,5-dichlorophenyl)sulfanylpropyl]cyclopentanamine.
What is the SMILES notation for N-[2-(2,5-dichlorophenyl)sulfanylpropyl]cyclopentanamine?
The canonical SMILES for N-[2-(2,5-dichlorophenyl)sulfanylpropyl]cyclopentanamine is CC(CNC1CCCC1)Sc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[2-(2,5-dichlorophenyl)sulfanylpropyl]cyclopentanamine?
The InChIKey is IBDPSIAFZYFSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NS/c1-10(9-17-12-4-2-3-5-12)18-14-8-11(15)6-7-13(14)16/h6-8,10,12,17H,2-5,9H2,1H3.
What are the key properties of N-[2-(2,5-dichlorophenyl)sulfanylpropyl]cyclopentanamine?
N-[2-(2,5-dichlorophenyl)sulfanylpropyl]cyclopentanamine has a molecular weight of 304.29 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichlorophenyl)sulfanylpropyl]cyclopentanamine is sourced from PubChem (CID 55194771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).