3-(cyclohexylmethylsulfinyl)butan-1-amine

C11H23NOS — CID 81195369

IUPAC3-(cyclohexylmethylsulfinyl)butan-1-amine
SMILESCC(CCN)S(=O)CC1CCCCC1
InChIInChI=1S/C11H23NOS/c1-10(7-8-12)14(13)9-11-5-3-2-4-6-11/h10-11H,2-9,12H2,1H3
InChIKeyPUTFZXYBLOWRBG-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.05
Rot. Bonds5

About 3-(cyclohexylmethylsulfinyl)butan-1-amine

3-(cyclohexylmethylsulfinyl)butan-1-amine (PubChem CID 81195369) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 3-(cyclohexylmethylsulfinyl)butan-1-amine.

Molecular Properties

Compound Name3-(cyclohexylmethylsulfinyl)butan-1-amine
PubChem CID81195369
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name3-(cyclohexylmethylsulfinyl)butan-1-amine
SMILESCC(CCN)S(=O)CC1CCCCC1
InChIInChI=1S/C11H23NOS/c1-10(7-8-12)14(13)9-11-5-3-2-4-6-11/h10-11H,2-9,12H2,1H3
InChIKeyPUTFZXYBLOWRBG-UHFFFAOYSA-N
XLogP2.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethylsulfinyl)butan-1-amine?
The IUPAC name of 3-(cyclohexylmethylsulfinyl)butan-1-amine (CID 81195369) is 3-(cyclohexylmethylsulfinyl)butan-1-amine.
What is the SMILES notation for 3-(cyclohexylmethylsulfinyl)butan-1-amine?
The canonical SMILES for 3-(cyclohexylmethylsulfinyl)butan-1-amine is CC(CCN)S(=O)CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethylsulfinyl)butan-1-amine?
The InChIKey is PUTFZXYBLOWRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-10(7-8-12)14(13)9-11-5-3-2-4-6-11/h10-11H,2-9,12H2,1H3.
What are the key properties of 3-(cyclohexylmethylsulfinyl)butan-1-amine?
3-(cyclohexylmethylsulfinyl)butan-1-amine has a molecular weight of 217.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethylsulfinyl)butan-1-amine is sourced from PubChem (CID 81195369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).