3-(cyclohexylmethylsulfinyl)propan-1-amine

C10H21NOS — CID 58684242

IUPAC3-(cyclohexylmethylsulfinyl)propan-1-amine
SMILESNCCCS(=O)CC1CCCCC1
InChIInChI=1S/C10H21NOS/c11-7-4-8-13(12)9-10-5-2-1-3-6-10/h10H,1-9,11H2
InChIKeyIMHCQPZKLIMMOV-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.66
Rot. Bonds5

About 3-(cyclohexylmethylsulfinyl)propan-1-amine

3-(cyclohexylmethylsulfinyl)propan-1-amine (PubChem CID 58684242) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-(cyclohexylmethylsulfinyl)propan-1-amine.

Molecular Properties

Compound Name3-(cyclohexylmethylsulfinyl)propan-1-amine
PubChem CID58684242
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-(cyclohexylmethylsulfinyl)propan-1-amine
SMILESNCCCS(=O)CC1CCCCC1
InChIInChI=1S/C10H21NOS/c11-7-4-8-13(12)9-10-5-2-1-3-6-10/h10H,1-9,11H2
InChIKeyIMHCQPZKLIMMOV-UHFFFAOYSA-N
XLogP1.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethylsulfinyl)propan-1-amine?
The IUPAC name of 3-(cyclohexylmethylsulfinyl)propan-1-amine (CID 58684242) is 3-(cyclohexylmethylsulfinyl)propan-1-amine.
What is the SMILES notation for 3-(cyclohexylmethylsulfinyl)propan-1-amine?
The canonical SMILES for 3-(cyclohexylmethylsulfinyl)propan-1-amine is NCCCS(=O)CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethylsulfinyl)propan-1-amine?
The InChIKey is IMHCQPZKLIMMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c11-7-4-8-13(12)9-10-5-2-1-3-6-10/h10H,1-9,11H2.
What are the key properties of 3-(cyclohexylmethylsulfinyl)propan-1-amine?
3-(cyclohexylmethylsulfinyl)propan-1-amine has a molecular weight of 203.35 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethylsulfinyl)propan-1-amine is sourced from PubChem (CID 58684242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).