4-(3-methylcyclohexyl)sulfinylcyclohexan-1-amine

C13H25NOS — CID 62808351

IUPAC4-(3-methylcyclohexyl)sulfinylcyclohexan-1-amine
SMILESCC1CCCC(S(=O)C2CCC(N)CC2)C1
InChIInChI=1S/C13H25NOS/c1-10-3-2-4-13(9-10)16(15)12-7-5-11(14)6-8-12/h10-13H,2-9,14H2,1H3
InChIKeyZJCGHXMNUDPBOV-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.58
Rot. Bonds2

About 4-(3-methylcyclohexyl)sulfinylcyclohexan-1-amine

4-(3-methylcyclohexyl)sulfinylcyclohexan-1-amine (PubChem CID 62808351) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 4-(3-methylcyclohexyl)sulfinylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-methylcyclohexyl)sulfinylcyclohexan-1-amine
PubChem CID62808351
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name4-(3-methylcyclohexyl)sulfinylcyclohexan-1-amine
SMILESCC1CCCC(S(=O)C2CCC(N)CC2)C1
InChIInChI=1S/C13H25NOS/c1-10-3-2-4-13(9-10)16(15)12-7-5-11(14)6-8-12/h10-13H,2-9,14H2,1H3
InChIKeyZJCGHXMNUDPBOV-UHFFFAOYSA-N
XLogP2.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohexyl)sulfinylcyclohexan-1-amine?
The IUPAC name of 4-(3-methylcyclohexyl)sulfinylcyclohexan-1-amine (CID 62808351) is 4-(3-methylcyclohexyl)sulfinylcyclohexan-1-amine.
What is the SMILES notation for 4-(3-methylcyclohexyl)sulfinylcyclohexan-1-amine?
The canonical SMILES for 4-(3-methylcyclohexyl)sulfinylcyclohexan-1-amine is CC1CCCC(S(=O)C2CCC(N)CC2)C1.
What is the InChIKey of 4-(3-methylcyclohexyl)sulfinylcyclohexan-1-amine?
The InChIKey is ZJCGHXMNUDPBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-10-3-2-4-13(9-10)16(15)12-7-5-11(14)6-8-12/h10-13H,2-9,14H2,1H3.
What are the key properties of 4-(3-methylcyclohexyl)sulfinylcyclohexan-1-amine?
4-(3-methylcyclohexyl)sulfinylcyclohexan-1-amine has a molecular weight of 243.42 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclohexyl)sulfinylcyclohexan-1-amine is sourced from PubChem (CID 62808351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).