3-(cyclohexylmethylsulfonyl)propan-1-amine

C10H21NO2S — CID 58684362

IUPAC3-(cyclohexylmethylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C10H21NO2S/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h10H,1-9,11H2
InChIKeyJIPKHVZMLVZXQM-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.33
Rot. Bonds5

About 3-(cyclohexylmethylsulfonyl)propan-1-amine

3-(cyclohexylmethylsulfonyl)propan-1-amine (PubChem CID 58684362) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 3-(cyclohexylmethylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name3-(cyclohexylmethylsulfonyl)propan-1-amine
PubChem CID58684362
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name3-(cyclohexylmethylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C10H21NO2S/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h10H,1-9,11H2
InChIKeyJIPKHVZMLVZXQM-UHFFFAOYSA-N
XLogP1.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethylsulfonyl)propan-1-amine?
The IUPAC name of 3-(cyclohexylmethylsulfonyl)propan-1-amine (CID 58684362) is 3-(cyclohexylmethylsulfonyl)propan-1-amine.
What is the SMILES notation for 3-(cyclohexylmethylsulfonyl)propan-1-amine?
The canonical SMILES for 3-(cyclohexylmethylsulfonyl)propan-1-amine is NCCCS(=O)(=O)CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethylsulfonyl)propan-1-amine?
The InChIKey is JIPKHVZMLVZXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h10H,1-9,11H2.
What are the key properties of 3-(cyclohexylmethylsulfonyl)propan-1-amine?
3-(cyclohexylmethylsulfonyl)propan-1-amine has a molecular weight of 219.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethylsulfonyl)propan-1-amine is sourced from PubChem (CID 58684362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).