2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine

C17H27NOS — CID 64621896

IUPAC2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1Sc1ccc(OC)cc1
InChIInChI=1S/C17H27NOS/c1-3-13-18-16-7-5-4-6-8-17(16)20-15-11-9-14(19-2)10-12-15/h9-12,16-18H,3-8,13H2,1-2H3
InChIKeyPCLUOKPEBOPSPD-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.49
Rot. Bonds6

About 2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine

2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine (PubChem CID 64621896) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine
PubChem CID64621896
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1Sc1ccc(OC)cc1
InChIInChI=1S/C17H27NOS/c1-3-13-18-16-7-5-4-6-8-17(16)20-15-11-9-14(19-2)10-12-15/h9-12,16-18H,3-8,13H2,1-2H3
InChIKeyPCLUOKPEBOPSPD-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64619129
2-phenylsulfanyl-N-propylcyclopentan-1-amine
CID 22486376
2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64647989
2-(3-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64632982
N-[2-(4-methoxyphenoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103776401
2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103775345
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylcyclopentan-1-amine
CID 64648465
N-ethyl-2-(4-fluorophenyl)sulfanylcyclooctan-1-amine
CID 64620707
N-ethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine
CID 64619864
2-(2-bromophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64614544
2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclooctan-1-amine
CID 64648566

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine (CID 64621896) is 2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine is CCCNC1CCCCCC1Sc1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine?
The InChIKey is PCLUOKPEBOPSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-3-13-18-16-7-5-4-6-8-17(16)20-15-11-9-14(19-2)10-12-15/h9-12,16-18H,3-8,13H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine?
2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine is sourced from PubChem (CID 64621896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).