2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine

C16H31NS — CID 64627611

IUPAC2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine
SMILESCCCNC1CCCCCCC1SC1CCCC1
InChIInChI=1S/C16H31NS/c1-2-13-17-15-11-5-3-4-6-12-16(15)18-14-9-7-8-10-14/h14-17H,2-13H2,1H3
InChIKeyMBKYOERQGGYIGS-UHFFFAOYSA-N
MW269.50 g/mol
LogP4.75
Rot. Bonds5

About 2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine

2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine (PubChem CID 64627611) has the molecular formula C16H31NS and a molecular weight of 269.50 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine
PubChem CID64627611
Molecular FormulaC16H31NS
Molecular Weight269.50 g/mol
Exact Mass269.22
IUPAC Name2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine
SMILESCCCNC1CCCCCCC1SC1CCCC1
InChIInChI=1S/C16H31NS/c1-2-13-17-15-11-5-3-4-6-12-16(15)18-14-9-7-8-10-14/h14-17H,2-13H2,1H3
InChIKeyMBKYOERQGGYIGS-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
2-(2-methylpropylsulfanyl)-N-propylcyclohexan-1-amine
CID 64611531
2-(2-methylbutylsulfanyl)-N-propylcycloheptan-1-amine
CID 107763648
6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79847103
3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine
CID 64716109
methyl 3-[2-(propylamino)cycloheptyl]sulfanylpropanoate
CID 64615405
2-(2-cyclohexylsulfanylethyl)-N-propylcyclopentan-1-amine
CID 79576187
2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64614544
2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine
CID 64621896
2-[(4-chlorophenyl)methylsulfanyl]-N-propylcyclooctan-1-amine
CID 114792663
N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclohexan-1-amine
CID 65041153
N,N-dimethyl-2-[2-(propylamino)cyclohexyl]sulfanylacetamide
CID 114235056

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine?
The IUPAC name of 2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine (CID 64627611) is 2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine?
The canonical SMILES for 2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine is CCCNC1CCCCCCC1SC1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine?
The InChIKey is MBKYOERQGGYIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NS/c1-2-13-17-15-11-5-3-4-6-12-16(15)18-14-9-7-8-10-14/h14-17H,2-13H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine?
2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine has a molecular weight of 269.50 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine is sourced from PubChem (CID 64627611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).