1-cyclobutyl-N-(3-methylsulfonylpropyl)propan-2-amine

C11H23NO2S — CID 115716722

IUPAC1-cyclobutyl-N-(3-methylsulfonylpropyl)propan-2-amine
SMILESCC(CC1CCC1)NCCCS(C)(=O)=O
InChIInChI=1S/C11H23NO2S/c1-10(9-11-5-3-6-11)12-7-4-8-15(2,13)14/h10-12H,3-9H2,1-2H3
InChIKeyJCEIDDFNUBFEQX-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.59
Rot. Bonds7

About 1-cyclobutyl-N-(3-methylsulfonylpropyl)propan-2-amine

1-cyclobutyl-N-(3-methylsulfonylpropyl)propan-2-amine (PubChem CID 115716722) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-cyclobutyl-N-(3-methylsulfonylpropyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-(3-methylsulfonylpropyl)propan-2-amine
PubChem CID115716722
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-cyclobutyl-N-(3-methylsulfonylpropyl)propan-2-amine
SMILESCC(CC1CCC1)NCCCS(C)(=O)=O
InChIInChI=1S/C11H23NO2S/c1-10(9-11-5-3-6-11)12-7-4-8-15(2,13)14/h10-12H,3-9H2,1-2H3
InChIKeyJCEIDDFNUBFEQX-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclobutyl-N-(3-methylsulfonylpropyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1-cyclobutylpropan-2-ylamino)propyl]methanesulfonamide
CID 115708208
N-[(1S)-1-cyclopentylethyl]-3-methylsulfonylpropan-1-amine
CID 81395595
N-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 115705382
N-(cyclobutylmethyl)-3-methylsulfonylpropan-1-amine
CID 63190759
1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine
CID 103168351
1-chloro-N-(3-methylsulfonylpropyl)propan-2-amine
CID 65025907
1-cyclobutyl-5-methylsulfonylpentan-2-amine
CID 103168350
1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine
CID 115890825
N-(cyclopentylmethyl)-3-methylsulfonylpropan-1-amine
CID 61342623
N-(1-cyclohexylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 165494361
N-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine
CID 81300289
N'-(1-cyclopropylpropan-2-yl)-N-methylpropane-1,3-diamine
CID 91064038

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-(3-methylsulfonylpropyl)propan-2-amine?
The IUPAC name of 1-cyclobutyl-N-(3-methylsulfonylpropyl)propan-2-amine (CID 115716722) is 1-cyclobutyl-N-(3-methylsulfonylpropyl)propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-(3-methylsulfonylpropyl)propan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-(3-methylsulfonylpropyl)propan-2-amine is CC(CC1CCC1)NCCCS(C)(=O)=O.
What is the InChIKey of 1-cyclobutyl-N-(3-methylsulfonylpropyl)propan-2-amine?
The InChIKey is JCEIDDFNUBFEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10(9-11-5-3-6-11)12-7-4-8-15(2,13)14/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-cyclobutyl-N-(3-methylsulfonylpropyl)propan-2-amine?
1-cyclobutyl-N-(3-methylsulfonylpropyl)propan-2-amine has a molecular weight of 233.38 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-(3-methylsulfonylpropyl)propan-2-amine is sourced from PubChem (CID 115716722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).