N-(3-cyclopropylpropyl)-2-methylsulfonylcyclopentan-1-amine

C12H23NO2S — CID 115901335

IUPACN-(3-cyclopropylpropyl)-2-methylsulfonylcyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1NCCCC1CC1
InChIInChI=1S/C12H23NO2S/c1-16(14,15)12-6-2-5-11(12)13-9-3-4-10-7-8-10/h10-13H,2-9H2,1H3
InChIKeySTMVIIKZEVRTRD-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.73
Rot. Bonds6

About N-(3-cyclopropylpropyl)-2-methylsulfonylcyclopentan-1-amine

N-(3-cyclopropylpropyl)-2-methylsulfonylcyclopentan-1-amine (PubChem CID 115901335) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N-(3-cyclopropylpropyl)-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(3-cyclopropylpropyl)-2-methylsulfonylcyclopentan-1-amine
PubChem CID115901335
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN-(3-cyclopropylpropyl)-2-methylsulfonylcyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1NCCCC1CC1
InChIInChI=1S/C12H23NO2S/c1-16(14,15)12-6-2-5-11(12)13-9-3-4-10-7-8-10/h10-13H,2-9H2,1H3
InChIKeySTMVIIKZEVRTRD-UHFFFAOYSA-N
XLogP1.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentylethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044497
N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine
CID 65044398
N-(cyclopropylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046998
2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
CID 65046605
trans-(1R,2R)-2-[3-[[(1S,2R)-2-methylsulfonylcyclohexyl]amino]propyl]cyclohexan-1-ol
CID 124726331
N-[3-(2-methoxyethoxy)propyl]-2-methylsulfonylcyclopentan-1-amine
CID 65046821
N-(3-ethenoxypropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046875
N-[4-(2-methoxyethoxy)butyl]-2-methylsulfonylcyclopentan-1-amine
CID 115900911
2-methylsulfonyl-N-[(E)-pent-3-enyl]cyclopentan-1-amine
CID 115901310
2-methylsulfonyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
CID 65045793
N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046461
trans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine
CID 99638037

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylpropyl)-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-(3-cyclopropylpropyl)-2-methylsulfonylcyclopentan-1-amine (CID 115901335) is N-(3-cyclopropylpropyl)-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-(3-cyclopropylpropyl)-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-(3-cyclopropylpropyl)-2-methylsulfonylcyclopentan-1-amine is CS(=O)(=O)C1CCCC1NCCCC1CC1.
What is the InChIKey of N-(3-cyclopropylpropyl)-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is STMVIIKZEVRTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-16(14,15)12-6-2-5-11(12)13-9-3-4-10-7-8-10/h10-13H,2-9H2,1H3.
What are the key properties of N-(3-cyclopropylpropyl)-2-methylsulfonylcyclopentan-1-amine?
N-(3-cyclopropylpropyl)-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 245.39 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylpropyl)-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 115901335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).