2-methylsulfonyl-N-pent-4-en-2-ylcyclopentan-1-amine

C11H21NO2S — CID 115901322

IUPAC2-methylsulfonyl-N-pent-4-en-2-ylcyclopentan-1-amine
SMILESC=CCC(C)NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C11H21NO2S/c1-4-6-9(2)12-10-7-5-8-11(10)15(3,13)14/h4,9-12H,1,5-8H2,2-3H3
InChIKeyMPCJYDMGHQMXRJ-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.51
Rot. Bonds5

About 2-methylsulfonyl-N-pent-4-en-2-ylcyclopentan-1-amine

2-methylsulfonyl-N-pent-4-en-2-ylcyclopentan-1-amine (PubChem CID 115901322) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-methylsulfonyl-N-pent-4-en-2-ylcyclopentan-1-amine.

Molecular Properties

Compound Name2-methylsulfonyl-N-pent-4-en-2-ylcyclopentan-1-amine
PubChem CID115901322
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name2-methylsulfonyl-N-pent-4-en-2-ylcyclopentan-1-amine
SMILESC=CCC(C)NC1CCCC1S(C)(=O)=O
InChIInChI=1S/C11H21NO2S/c1-4-6-9(2)12-10-7-5-8-11(10)15(3,13)14/h4,9-12H,1,5-8H2,2-3H3
InChIKeyMPCJYDMGHQMXRJ-UHFFFAOYSA-N
XLogP1.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.51
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

(2R)-2-[[(1R,2R)-2-methylsulfonylcyclopentyl]amino]propan-1-ol
CID 124596706
(2R)-2-[(2-methylsulfonylcyclopentyl)amino]propan-1-ol
CID 114987227
N-(1-ethoxypropan-2-yl)-2-methylsulfonylcyclopentan-1-amine
CID 65046268
N-(3-methylpentan-2-yl)-2-methylsulfonylcyclopentan-1-amine
CID 65046156
cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 94586193
N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine
CID 115405922
2-methylsulfanyl-3-[(2-methylsulfonylcyclopentyl)amino]butan-1-ol
CID 103914098
N-(3-methyl-1-phenylbutyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044520
2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine
CID 65046271
N-(3-ethenoxypropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046875
N-(cyclopropylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046998
N-[(1R)-1-(furan-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81403412

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-pent-4-en-2-ylcyclopentan-1-amine?
The IUPAC name of 2-methylsulfonyl-N-pent-4-en-2-ylcyclopentan-1-amine (CID 115901322) is 2-methylsulfonyl-N-pent-4-en-2-ylcyclopentan-1-amine.
What is the SMILES notation for 2-methylsulfonyl-N-pent-4-en-2-ylcyclopentan-1-amine?
The canonical SMILES for 2-methylsulfonyl-N-pent-4-en-2-ylcyclopentan-1-amine is C=CCC(C)NC1CCCC1S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-pent-4-en-2-ylcyclopentan-1-amine?
The InChIKey is MPCJYDMGHQMXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-4-6-9(2)12-10-7-5-8-11(10)15(3,13)14/h4,9-12H,1,5-8H2,2-3H3.
What are the key properties of 2-methylsulfonyl-N-pent-4-en-2-ylcyclopentan-1-amine?
2-methylsulfonyl-N-pent-4-en-2-ylcyclopentan-1-amine has a molecular weight of 231.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-pent-4-en-2-ylcyclopentan-1-amine is sourced from PubChem (CID 115901322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).