3-methylsulfinylcyclohexan-1-amine

C7H15NOS — CID 64717383

IUPAC3-methylsulfinylcyclohexan-1-amine
SMILESCS(=O)C1CCCC(N)C1
InChIInChI=1S/C7H15NOS/c1-10(9)7-4-2-3-6(8)5-7/h6-7H,2-5,8H2,1H3
InChIKeyBYJYAVYDWVNBHG-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.63
Rot. Bonds1

About 3-methylsulfinylcyclohexan-1-amine

3-methylsulfinylcyclohexan-1-amine (PubChem CID 64717383) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 3-methylsulfinylcyclohexan-1-amine.

Molecular Properties

Compound Name3-methylsulfinylcyclohexan-1-amine
PubChem CID64717383
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name3-methylsulfinylcyclohexan-1-amine
SMILESCS(=O)C1CCCC(N)C1
InChIInChI=1S/C7H15NOS/c1-10(9)7-4-2-3-6(8)5-7/h6-7H,2-5,8H2,1H3
InChIKeyBYJYAVYDWVNBHG-UHFFFAOYSA-N
XLogP0.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methanesulfonylcyclohexan-1-amine hydrochloride
CID 54594876
4-(Methylsulfanyl)cyclohexan-1-amine
CID 62808674
3-(Ethanesulfinyl)cyclohexan-1-amine
CID 64717350
3-Methanesulfonylcyclohexan-1-amine
CID 14615349
4-Methanesulfonylcyclohexan-1-amine
CID 24689381
(1R,2R)-2-Methanesulfonylcyclohexan-1-amine
CID 52271229
3-(Fluoromethylsulfonyl)cyclohexan-1-amine
CID 84720542
2-(Methylsulfanyl)cyclohexan-1-amine
CID 12770089
Rac-(1r,2r)-2-(methylsulfanyl)cyclohexan-1-amine
CID 12770090
2-Methanesulfonylcyclohexan-1-amine
CID 14615351
4-Methanesulfinylcyclohexan-1-amine
CID 54594669
2-Methyl-1-oxothian-3-amine
CID 59657822

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfinylcyclohexan-1-amine?
The IUPAC name of 3-methylsulfinylcyclohexan-1-amine (CID 64717383) is 3-methylsulfinylcyclohexan-1-amine.
What is the SMILES notation for 3-methylsulfinylcyclohexan-1-amine?
The canonical SMILES for 3-methylsulfinylcyclohexan-1-amine is CS(=O)C1CCCC(N)C1.
What is the InChIKey of 3-methylsulfinylcyclohexan-1-amine?
The InChIKey is BYJYAVYDWVNBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-10(9)7-4-2-3-6(8)5-7/h6-7H,2-5,8H2,1H3.
What are the key properties of 3-methylsulfinylcyclohexan-1-amine?
3-methylsulfinylcyclohexan-1-amine has a molecular weight of 161.27 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfinylcyclohexan-1-amine is sourced from PubChem (CID 64717383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).