N-methyl-3-(3-methylcyclohexyl)sulfinylcyclopentan-1-amine

C13H25NOS — CID 64724266

IUPACN-methyl-3-(3-methylcyclohexyl)sulfinylcyclopentan-1-amine
SMILESCNC1CCC(S(=O)C2CCCC(C)C2)C1
InChIInChI=1S/C13H25NOS/c1-10-4-3-5-12(8-10)16(15)13-7-6-11(9-13)14-2/h10-14H,3-9H2,1-2H3
InChIKeyKNYSMVYEHYOLCJ-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.45
Rot. Bonds3

About N-methyl-3-(3-methylcyclohexyl)sulfinylcyclopentan-1-amine

N-methyl-3-(3-methylcyclohexyl)sulfinylcyclopentan-1-amine (PubChem CID 64724266) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is N-methyl-3-(3-methylcyclohexyl)sulfinylcyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(3-methylcyclohexyl)sulfinylcyclopentan-1-amine
PubChem CID64724266
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC NameN-methyl-3-(3-methylcyclohexyl)sulfinylcyclopentan-1-amine
SMILESCNC1CCC(S(=O)C2CCCC(C)C2)C1
InChIInChI=1S/C13H25NOS/c1-10-4-3-5-12(8-10)16(15)13-7-6-11(9-13)14-2/h10-14H,3-9H2,1-2H3
InChIKeyKNYSMVYEHYOLCJ-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylcyclohexyl)sulfinylcyclopentan-1-amine?
The IUPAC name of N-methyl-3-(3-methylcyclohexyl)sulfinylcyclopentan-1-amine (CID 64724266) is N-methyl-3-(3-methylcyclohexyl)sulfinylcyclopentan-1-amine.
What is the SMILES notation for N-methyl-3-(3-methylcyclohexyl)sulfinylcyclopentan-1-amine?
The canonical SMILES for N-methyl-3-(3-methylcyclohexyl)sulfinylcyclopentan-1-amine is CNC1CCC(S(=O)C2CCCC(C)C2)C1.
What is the InChIKey of N-methyl-3-(3-methylcyclohexyl)sulfinylcyclopentan-1-amine?
The InChIKey is KNYSMVYEHYOLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-10-4-3-5-12(8-10)16(15)13-7-6-11(9-13)14-2/h10-14H,3-9H2,1-2H3.
What are the key properties of N-methyl-3-(3-methylcyclohexyl)sulfinylcyclopentan-1-amine?
N-methyl-3-(3-methylcyclohexyl)sulfinylcyclopentan-1-amine has a molecular weight of 243.42 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylcyclohexyl)sulfinylcyclopentan-1-amine is sourced from PubChem (CID 64724266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).