[2-(4-chlorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine

C14H18ClNS — CID 66142585

IUPAC[2-(4-chlorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine
SMILESNCC1(Sc2ccc(Cl)cc2)CC2(CCC2)C1
InChIInChI=1S/C14H18ClNS/c15-11-2-4-12(5-3-11)17-14(10-16)8-13(9-14)6-1-7-13/h2-5H,1,6-10,16H2
InChIKeyHXYRMEZLTRNAJI-UHFFFAOYSA-N
MW267.82 g/mol
LogP4.09
Rot. Bonds3

About [2-(4-chlorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine

[2-(4-chlorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine (PubChem CID 66142585) has the molecular formula C14H18ClNS and a molecular weight of 267.82 g/mol. Its IUPAC name is [2-(4-chlorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(4-chlorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine
PubChem CID66142585
Molecular FormulaC14H18ClNS
Molecular Weight267.82 g/mol
Exact Mass267.08
IUPAC Name[2-(4-chlorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine
SMILESNCC1(Sc2ccc(Cl)cc2)CC2(CCC2)C1
InChIInChI=1S/C14H18ClNS/c15-11-2-4-12(5-3-11)17-14(10-16)8-13(9-14)6-1-7-13/h2-5H,1,6-10,16H2
InChIKeyHXYRMEZLTRNAJI-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-Chlorophenyl)sulfanylcycloheptyl]methanamine
CID 43530124
[2-(4-Chlorophenyl)sulfanylcyclohexyl]methanamine
CID 43530125
2-(4-Chlorophenyl)sulfanyl-3,3-dimethylbutan-1-amine
CID 61634253
4-(4-Chlorophenyl)sulfanyl-5,5-dimethylhexan-3-amine
CID 61634254
3-(4-Chlorophenyl)sulfanyl-4,4-dimethylpentan-2-amine
CID 61634255
2-(4-Chlorophenyl)sulfanyl-4,4-dimethylcyclohexan-1-amine
CID 64620940
(2-Phenylsulfanylspiro[3.3]heptan-2-yl)methanamine
CID 65141808
4-(4-Chlorophenyl)sulfanyl-2,2-dimethylbutan-1-amine
CID 65248649
5-(4-Chlorophenyl)sulfanyl-2,2-dimethylpentan-1-amine
CID 65255758
5-(2-Chlorophenyl)sulfanyl-2,2-dimethylpentan-1-amine
CID 65256032
5-(3-Chlorophenyl)sulfanyl-2,2-dimethylpentan-1-amine
CID 65256188
2-[1-[(4-Chlorophenyl)sulfanylmethyl]cyclopropyl]ethanamine
CID 65497963

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine?
The IUPAC name of [2-(4-chlorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine (CID 66142585) is [2-(4-chlorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine.
What is the SMILES notation for [2-(4-chlorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine?
The canonical SMILES for [2-(4-chlorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine is NCC1(Sc2ccc(Cl)cc2)CC2(CCC2)C1.
What is the InChIKey of [2-(4-chlorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine?
The InChIKey is HXYRMEZLTRNAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNS/c15-11-2-4-12(5-3-11)17-14(10-16)8-13(9-14)6-1-7-13/h2-5H,1,6-10,16H2.
What are the key properties of [2-(4-chlorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine?
[2-(4-chlorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine has a molecular weight of 267.82 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine is sourced from PubChem (CID 66142585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).