2-(3-methylcyclohexyl)sulfinylcycloheptan-1-amine

C14H27NOS — CID 64658590

IUPAC2-(3-methylcyclohexyl)sulfinylcycloheptan-1-amine
SMILESCC1CCCC(S(=O)C2CCCCCC2N)C1
InChIInChI=1S/C14H27NOS/c1-11-6-5-7-12(10-11)17(16)14-9-4-2-3-8-13(14)15/h11-14H,2-10,15H2,1H3
InChIKeyPJNUUMGOOMRMLY-UHFFFAOYSA-N
MW257.44 g/mol
LogP2.97
Rot. Bonds2

About 2-(3-methylcyclohexyl)sulfinylcycloheptan-1-amine

2-(3-methylcyclohexyl)sulfinylcycloheptan-1-amine (PubChem CID 64658590) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)sulfinylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)sulfinylcycloheptan-1-amine
PubChem CID64658590
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name2-(3-methylcyclohexyl)sulfinylcycloheptan-1-amine
SMILESCC1CCCC(S(=O)C2CCCCCC2N)C1
InChIInChI=1S/C14H27NOS/c1-11-6-5-7-12(10-11)17(16)14-9-4-2-3-8-13(14)15/h11-14H,2-10,15H2,1H3
InChIKeyPJNUUMGOOMRMLY-UHFFFAOYSA-N
XLogP2.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylcyclohexyl)sulfinylcyclohexan-1-amine
CID 62808351
2-(3-methylcyclohexyl)sulfinyl-2,3-dihydro-1H-inden-1-amine
CID 64657410
N-methyl-3-(3-methylcyclohexyl)sulfinylcyclopentan-1-amine
CID 64724266
2-(3-methylbutan-2-ylsulfinyl)cyclododecan-1-amine
CID 107759517
2-ethylsulfinylcyclododecan-1-amine
CID 64653771
3-(3-methylcyclohexyl)sulfinylbutan-2-amine
CID 64657610
trans-(1S,3S)-1,3-dimethylcyclooctane
CID 6427537
2-cyclopentylsulfinyl-4-methylcyclohexane-1-carbonitrile
CID 64692762
1,3,5-trimethylcyclododecane
CID 123355776
2-cyclopentylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64656857
(1R)-1,3-dimethylcyclohexane
CID 12594306
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)sulfinylcycloheptan-1-amine?
The IUPAC name of 2-(3-methylcyclohexyl)sulfinylcycloheptan-1-amine (CID 64658590) is 2-(3-methylcyclohexyl)sulfinylcycloheptan-1-amine.
What is the SMILES notation for 2-(3-methylcyclohexyl)sulfinylcycloheptan-1-amine?
The canonical SMILES for 2-(3-methylcyclohexyl)sulfinylcycloheptan-1-amine is CC1CCCC(S(=O)C2CCCCCC2N)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)sulfinylcycloheptan-1-amine?
The InChIKey is PJNUUMGOOMRMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-11-6-5-7-12(10-11)17(16)14-9-4-2-3-8-13(14)15/h11-14H,2-10,15H2,1H3.
What are the key properties of 2-(3-methylcyclohexyl)sulfinylcycloheptan-1-amine?
2-(3-methylcyclohexyl)sulfinylcycloheptan-1-amine has a molecular weight of 257.44 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)sulfinylcycloheptan-1-amine is sourced from PubChem (CID 64658590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).