2-cyclohexylsulfinyl-N-ethylcycloheptan-1-amine

C15H29NOS — CID 64654965

IUPAC2-cyclohexylsulfinyl-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1S(=O)C1CCCCC1
InChIInChI=1S/C15H29NOS/c1-2-16-14-11-7-4-8-12-15(14)18(17)13-9-5-3-6-10-13/h13-16H,2-12H2,1H3
InChIKeyBOZLKTRBKRSEDT-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.38
Rot. Bonds4

About 2-cyclohexylsulfinyl-N-ethylcycloheptan-1-amine

2-cyclohexylsulfinyl-N-ethylcycloheptan-1-amine (PubChem CID 64654965) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is 2-cyclohexylsulfinyl-N-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name2-cyclohexylsulfinyl-N-ethylcycloheptan-1-amine
PubChem CID64654965
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name2-cyclohexylsulfinyl-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1S(=O)C1CCCCC1
InChIInChI=1S/C15H29NOS/c1-2-16-14-11-7-4-8-12-15(14)18(17)13-9-5-3-6-10-13/h13-16H,2-12H2,1H3
InChIKeyBOZLKTRBKRSEDT-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexylsulfinyl-N-propylcyclopentan-1-amine
CID 64655374
2-cyclopentylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64656857
2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine
CID 64656792
N-ethyl-2-ethylsulfinylcyclohexan-1-amine
CID 64651715
N-ethyl-2-propylsulfinylcyclopentan-1-amine
CID 64653812
N-ethyl-2-thiophen-2-ylsulfinylcycloheptan-1-amine
CID 64651144
N-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine
CID 64656783
2-cyclopentylsulfinyl-4-methyl-N-propylcyclohexan-1-amine
CID 64654215
3-cyclopentylsulfinyl-N-propyloxan-4-amine
CID 64657061
N-ethyl-4,4-dimethyl-2-(oxan-4-ylsulfinyl)cyclohexan-1-amine
CID 64655460
2-(4-tert-butylphenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64652199
1-N-ethylcyclononane-1,2-diamine
CID 123480411

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfinyl-N-ethylcycloheptan-1-amine?
The IUPAC name of 2-cyclohexylsulfinyl-N-ethylcycloheptan-1-amine (CID 64654965) is 2-cyclohexylsulfinyl-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 2-cyclohexylsulfinyl-N-ethylcycloheptan-1-amine?
The canonical SMILES for 2-cyclohexylsulfinyl-N-ethylcycloheptan-1-amine is CCNC1CCCCCC1S(=O)C1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfinyl-N-ethylcycloheptan-1-amine?
The InChIKey is BOZLKTRBKRSEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-2-16-14-11-7-4-8-12-15(14)18(17)13-9-5-3-6-10-13/h13-16H,2-12H2,1H3.
What are the key properties of 2-cyclohexylsulfinyl-N-ethylcycloheptan-1-amine?
2-cyclohexylsulfinyl-N-ethylcycloheptan-1-amine has a molecular weight of 271.47 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfinyl-N-ethylcycloheptan-1-amine is sourced from PubChem (CID 64654965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).