N-[3-(2-chlorophenyl)sulfanylpropyl]cyclopropanamine

C12H16ClNS — CID 61385919

IUPACN-[3-(2-chlorophenyl)sulfanylpropyl]cyclopropanamine
SMILESClc1ccccc1SCCCNC1CC1
InChIInChI=1S/C12H16ClNS/c13-11-4-1-2-5-12(11)15-9-3-8-14-10-6-7-10/h1-2,4-5,10,14H,3,6-9H2
InChIKeyOEDVRFPVKYNVNW-UHFFFAOYSA-N
MW241.79 g/mol
LogP3.57
Rot. Bonds6

About N-[3-(2-chlorophenyl)sulfanylpropyl]cyclopropanamine

N-[3-(2-chlorophenyl)sulfanylpropyl]cyclopropanamine (PubChem CID 61385919) has the molecular formula C12H16ClNS and a molecular weight of 241.79 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)sulfanylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)sulfanylpropyl]cyclopropanamine
PubChem CID61385919
Molecular FormulaC12H16ClNS
Molecular Weight241.79 g/mol
Exact Mass241.07
IUPAC NameN-[3-(2-chlorophenyl)sulfanylpropyl]cyclopropanamine
SMILESClc1ccccc1SCCCNC1CC1
InChIInChI=1S/C12H16ClNS/c13-11-4-1-2-5-12(11)15-9-3-8-14-10-6-7-10/h1-2,4-5,10,14H,3,6-9H2
InChIKeyOEDVRFPVKYNVNW-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.79
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-chlorophenyl)sulfanylpropyl]cyclohexanamine
CID 63517410
2-(2-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine
CID 62582805
N-[(2-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine
CID 63809780
N'-cyclopropyl-N-[(2,6-dichlorophenyl)methyl]propane-1,3-diamine
CID 113410401
6-(2-chlorophenyl)sulfanylhexan-1-ol
CID 103736267
3-(2-chlorophenyl)sulfanyl-2-(cyclopropylamino)propan-1-ol
CID 64806375
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylcyclohexan-1-amine
CID 55026692
N-[3-(3-bromophenyl)sulfanylpropyl]cyclopropanamine
CID 62803375
5-(2-chlorophenyl)sulfanyl-N-methylpentan-2-amine
CID 64622059
N-[2-(2-chlorophenyl)sulfanylethyl]butan-1-amine
CID 62583171
N-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]cyclopropanamine
CID 60648664
N-[4-(2,5-difluorophenyl)sulfanylbutyl]cyclopropanamine
CID 62577626

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)sulfanylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(2-chlorophenyl)sulfanylpropyl]cyclopropanamine (CID 61385919) is N-[3-(2-chlorophenyl)sulfanylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2-chlorophenyl)sulfanylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(2-chlorophenyl)sulfanylpropyl]cyclopropanamine is Clc1ccccc1SCCCNC1CC1.
What is the InChIKey of N-[3-(2-chlorophenyl)sulfanylpropyl]cyclopropanamine?
The InChIKey is OEDVRFPVKYNVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNS/c13-11-4-1-2-5-12(11)15-9-3-8-14-10-6-7-10/h1-2,4-5,10,14H,3,6-9H2.
What are the key properties of N-[3-(2-chlorophenyl)sulfanylpropyl]cyclopropanamine?
N-[3-(2-chlorophenyl)sulfanylpropyl]cyclopropanamine has a molecular weight of 241.79 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)sulfanylpropyl]cyclopropanamine is sourced from PubChem (CID 61385919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).