N-(cyclohex-3-en-1-ylmethyl)-3-methylsulfonylpropan-1-amine

C11H21NO2S — CID 61020189

IUPACN-(cyclohex-3-en-1-ylmethyl)-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCCNCC1CC=CCC1
InChIInChI=1S/C11H21NO2S/c1-15(13,14)9-5-8-12-10-11-6-3-2-4-7-11/h2-3,11-12H,4-10H2,1H3
InChIKeyOJYHOIFDAYAMPQ-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.37
Rot. Bonds6

About N-(cyclohex-3-en-1-ylmethyl)-3-methylsulfonylpropan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-3-methylsulfonylpropan-1-amine (PubChem CID 61020189) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-3-methylsulfonylpropan-1-amine
PubChem CID61020189
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCCNCC1CC=CCC1
InChIInChI=1S/C11H21NO2S/c1-15(13,14)9-5-8-12-10-11-6-3-2-4-7-11/h2-3,11-12H,4-10H2,1H3
InChIKeyOJYHOIFDAYAMPQ-UHFFFAOYSA-N
XLogP1.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-methylsulfonylpropan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-methylsulfonylpropan-1-amine (CID 61020189) is N-(cyclohex-3-en-1-ylmethyl)-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-3-methylsulfonylpropan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-3-methylsulfonylpropan-1-amine is CS(=O)(=O)CCCNCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-3-methylsulfonylpropan-1-amine?
The InChIKey is OJYHOIFDAYAMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-15(13,14)9-5-8-12-10-11-6-3-2-4-7-11/h2-3,11-12H,4-10H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-3-methylsulfonylpropan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-3-methylsulfonylpropan-1-amine has a molecular weight of 231.36 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 61020189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).