4-(methylsulfinylmethylidene)cyclohexan-1-amine

C8H15NOS — CID 146577677

IUPAC4-(methylsulfinylmethylidene)cyclohexan-1-amine
SMILESCS(=O)C=C1CCC(N)CC1
InChIInChI=1S/C8H15NOS/c1-11(10)6-7-2-4-8(9)5-3-7/h6,8H,2-5,9H2,1H3/b7-6-
InChIKeyLQGWDOUPULSHLY-SREVYHEPSA-N
MW173.28 g/mol
LogP1.15
Rot. Bonds1

About 4-(methylsulfinylmethylidene)cyclohexan-1-amine

4-(methylsulfinylmethylidene)cyclohexan-1-amine (PubChem CID 146577677) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 4-(methylsulfinylmethylidene)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(methylsulfinylmethylidene)cyclohexan-1-amine
PubChem CID146577677
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name4-(methylsulfinylmethylidene)cyclohexan-1-amine
SMILESCS(=O)C=C1CCC(N)CC1
InChIInChI=1S/C8H15NOS/c1-11(10)6-7-2-4-8(9)5-3-7/h6,8H,2-5,9H2,1H3/b7-6-
InChIKeyLQGWDOUPULSHLY-SREVYHEPSA-N
XLogP1.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfinylmethylidene)cyclohexan-1-amine?
The IUPAC name of 4-(methylsulfinylmethylidene)cyclohexan-1-amine (CID 146577677) is 4-(methylsulfinylmethylidene)cyclohexan-1-amine.
What is the SMILES notation for 4-(methylsulfinylmethylidene)cyclohexan-1-amine?
The canonical SMILES for 4-(methylsulfinylmethylidene)cyclohexan-1-amine is CS(=O)C=C1CCC(N)CC1.
What is the InChIKey of 4-(methylsulfinylmethylidene)cyclohexan-1-amine?
The InChIKey is LQGWDOUPULSHLY-SREVYHEPSA-N. The full InChI is InChI=1S/C8H15NOS/c1-11(10)6-7-2-4-8(9)5-3-7/h6,8H,2-5,9H2,1H3/b7-6-.
What are the key properties of 4-(methylsulfinylmethylidene)cyclohexan-1-amine?
4-(methylsulfinylmethylidene)cyclohexan-1-amine has a molecular weight of 173.28 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfinylmethylidene)cyclohexan-1-amine is sourced from PubChem (CID 146577677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).