1-[1-(4-chlorophenyl)sulfanylcyclopropyl]-N-methylmethanamine

C11H14ClNS — CID 117034869

IUPAC1-[1-(4-chlorophenyl)sulfanylcyclopropyl]-N-methylmethanamine
SMILESCNCC1(Sc2ccc(Cl)cc2)CC1
InChIInChI=1S/C11H14ClNS/c1-13-8-11(6-7-11)14-10-4-2-9(12)3-5-10/h2-5,13H,6-8H2,1H3
InChIKeyUGVRCEHRFYKWNX-UHFFFAOYSA-N
MW227.76 g/mol
LogP3.18
Rot. Bonds4

About 1-[1-(4-chlorophenyl)sulfanylcyclopropyl]-N-methylmethanamine

1-[1-(4-chlorophenyl)sulfanylcyclopropyl]-N-methylmethanamine (PubChem CID 117034869) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)sulfanylcyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)sulfanylcyclopropyl]-N-methylmethanamine
PubChem CID117034869
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name1-[1-(4-chlorophenyl)sulfanylcyclopropyl]-N-methylmethanamine
SMILESCNCC1(Sc2ccc(Cl)cc2)CC1
InChIInChI=1S/C11H14ClNS/c1-13-8-11(6-7-11)14-10-4-2-9(12)3-5-10/h2-5,13H,6-8H2,1H3
InChIKeyUGVRCEHRFYKWNX-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-fluoro-3-methylphenyl)sulfanylcyclopropyl]-N-methylmethanamine
CID 117034879
[1-(4-chlorophenyl)sulfanyl-3,3-dimethylcyclobutyl]methanamine
CID 66143561
N-methyl-1-(1-thiophen-2-ylsulfanylcyclopropyl)methanamine
CID 117034892
[2-(4-chlorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine
CID 66142585
1-[5-(4-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine
CID 65008340
2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride
CID 119782892
4-(4-chlorophenyl)sulfanyl-N-methylbutan-1-amine
CID 62583689
2-methyl-3-(methylamino)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]propanamide;hydrochloride
CID 119820132
1-(4-chlorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244797
1-[2-(4-chlorophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine
CID 65007343
1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 62718017
[1-(4-chloro-3-methylphenyl)sulfanylcyclopropyl]methanamine
CID 117034858

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)sulfanylcyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-chlorophenyl)sulfanylcyclopropyl]-N-methylmethanamine (CID 117034869) is 1-[1-(4-chlorophenyl)sulfanylcyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)sulfanylcyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-chlorophenyl)sulfanylcyclopropyl]-N-methylmethanamine is CNCC1(Sc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)sulfanylcyclopropyl]-N-methylmethanamine?
The InChIKey is UGVRCEHRFYKWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNS/c1-13-8-11(6-7-11)14-10-4-2-9(12)3-5-10/h2-5,13H,6-8H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)sulfanylcyclopropyl]-N-methylmethanamine?
1-[1-(4-chlorophenyl)sulfanylcyclopropyl]-N-methylmethanamine has a molecular weight of 227.76 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)sulfanylcyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 117034869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).