N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfonylcyclopentan-1-amine

C13H23NO2S — CID 65045797

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-methylsulfonylcyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1NCC1CC=CCC1
InChIInChI=1S/C13H23NO2S/c1-17(15,16)13-9-5-8-12(13)14-10-11-6-3-2-4-7-11/h2-3,11-14H,4-10H2,1H3
InChIKeyJYEQLRZJQJPNAN-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.90
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfonylcyclopentan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfonylcyclopentan-1-amine (PubChem CID 65045797) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-methylsulfonylcyclopentan-1-amine
PubChem CID65045797
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-methylsulfonylcyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1NCC1CC=CCC1
InChIInChI=1S/C13H23NO2S/c1-17(15,16)13-9-5-8-12(13)14-10-11-6-3-2-4-7-11/h2-3,11-14H,4-10H2,1H3
InChIKeyJYEQLRZJQJPNAN-UHFFFAOYSA-N
XLogP1.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046998
2-methylsulfonyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine
CID 65045602
3-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 103914206
trans-(1R,2R)-2-(cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol
CID 104923298
cis-(1R,2S)-2-[[(1S)-cyclohex-3-en-1-yl]methylamino]cyclohexan-1-ol
CID 124673828
N-(2-cyclopentylethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044497
N-(cyclohex-3-en-1-ylmethyl)cyclododecanamine
CID 63478638
N-(3-cyclopropylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 115901335
N-(cyclohex-3-en-1-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544217
N-[(1-methylcyclopropyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 103914483
N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine
CID 115405922
2-(cyclohex-3-en-1-ylmethylamino)cyclobutane-1-carboxylic acid
CID 103245487

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfonylcyclopentan-1-amine (CID 65045797) is N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfonylcyclopentan-1-amine is CS(=O)(=O)C1CCCC1NCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is JYEQLRZJQJPNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-17(15,16)13-9-5-8-12(13)14-10-11-6-3-2-4-7-11/h2-3,11-14H,4-10H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfonylcyclopentan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 257.40 g/mol, XLogP of 1.90, 4 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)-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 65045797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).