N-[3-(1-cyclobutylpropan-2-ylamino)propyl]methanesulfonamide

C11H24N2O2S — CID 115708208

IUPACN-[3-(1-cyclobutylpropan-2-ylamino)propyl]methanesulfonamide
SMILESCC(CC1CCC1)NCCCNS(C)(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-10(9-11-5-3-6-11)12-7-4-8-13-16(2,14)15/h10-13H,3-9H2,1-2H3
InChIKeyOWUBPQWJCODNBU-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.09
Rot. Bonds8

About N-[3-(1-cyclobutylpropan-2-ylamino)propyl]methanesulfonamide

N-[3-(1-cyclobutylpropan-2-ylamino)propyl]methanesulfonamide (PubChem CID 115708208) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[3-(1-cyclobutylpropan-2-ylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(1-cyclobutylpropan-2-ylamino)propyl]methanesulfonamide
PubChem CID115708208
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-[3-(1-cyclobutylpropan-2-ylamino)propyl]methanesulfonamide
SMILESCC(CC1CCC1)NCCCNS(C)(=O)=O
InChIInChI=1S/C11H24N2O2S/c1-10(9-11-5-3-6-11)12-7-4-8-13-16(2,14)15/h10-13H,3-9H2,1-2H3
InChIKeyOWUBPQWJCODNBU-UHFFFAOYSA-N
XLogP1.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclobutyl-N-(3-methylsulfonylpropyl)propan-2-amine
CID 115716722
N-[3-[1-(azepan-2-yl)propan-2-ylamino]propyl]methanesulfonamide
CID 106333370
N-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 115705382
N-[3-[1-(1-methylpiperidin-3-yl)ethylamino]propyl]methanesulfonamide
CID 103776667
N'-(1-cyclopropylpropan-2-yl)-N-methylpropane-1,3-diamine
CID 91064038
tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate
CID 103781099
3-[3-(methanesulfonamido)propylamino]butanoic acid
CID 106336520
1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine
CID 115890825
N-(1-cyclohexylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 165494361
N-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine
CID 81300289
1-cyclopropyl-N-(3-methylsulfinylpropyl)propan-2-amine
CID 115721005
tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate
CID 107242908

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclobutylpropan-2-ylamino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(1-cyclobutylpropan-2-ylamino)propyl]methanesulfonamide (CID 115708208) is N-[3-(1-cyclobutylpropan-2-ylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(1-cyclobutylpropan-2-ylamino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(1-cyclobutylpropan-2-ylamino)propyl]methanesulfonamide is CC(CC1CCC1)NCCCNS(C)(=O)=O.
What is the InChIKey of N-[3-(1-cyclobutylpropan-2-ylamino)propyl]methanesulfonamide?
The InChIKey is OWUBPQWJCODNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-10(9-11-5-3-6-11)12-7-4-8-13-16(2,14)15/h10-13H,3-9H2,1-2H3.
What are the key properties of N-[3-(1-cyclobutylpropan-2-ylamino)propyl]methanesulfonamide?
N-[3-(1-cyclobutylpropan-2-ylamino)propyl]methanesulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclobutylpropan-2-ylamino)propyl]methanesulfonamide is sourced from PubChem (CID 115708208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).