N-[3-[(2-cyclopropylphenyl)methylamino]propyl]methanesulfonamide

C14H22N2O2S — CID 103739279

IUPACN-[3-[(2-cyclopropylphenyl)methylamino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCc1ccccc1C1CC1
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)16-10-4-9-15-11-13-5-2-3-6-14(13)12-7-8-12/h2-3,5-6,12,15-16H,4,7-11H2,1H3
InChIKeyQLEHEXGKSMFPDB-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.59
Rot. Bonds8

About N-[3-[(2-cyclopropylphenyl)methylamino]propyl]methanesulfonamide

N-[3-[(2-cyclopropylphenyl)methylamino]propyl]methanesulfonamide (PubChem CID 103739279) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[3-[(2-cyclopropylphenyl)methylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2-cyclopropylphenyl)methylamino]propyl]methanesulfonamide
PubChem CID103739279
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[3-[(2-cyclopropylphenyl)methylamino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNCc1ccccc1C1CC1
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)16-10-4-9-15-11-13-5-2-3-6-14(13)12-7-8-12/h2-3,5-6,12,15-16H,4,7-11H2,1H3
InChIKeyQLEHEXGKSMFPDB-UHFFFAOYSA-N
XLogP1.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.59
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

N-[(2-cyclopropylphenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 79889051
2-[(2-cyclopropylphenyl)methylamino]-N-ethylethanesulfonamide
CID 103739342
N-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide
CID 103611752
N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine
CID 79979438
2-[2-[[3-(methanesulfonamido)propylamino]methyl]phenyl]acetic acid
CID 106336801
5-[(2-cyclopropylphenyl)methylamino]pentanamide
CID 106234312
N-[3-[(2-cyanophenyl)methylamino]propyl]methanesulfonamide
CID 103616089
N-[(2-cyclopropylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79889119
N-[(2-cyclopropylphenyl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115491475
N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide
CID 62392443
N'-hydroxy-2-[[3-(methanesulfonamido)propylamino]methyl]benzenecarboximidamide
CID 106339634
N-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 79983931

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-cyclopropylphenyl)methylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(2-cyclopropylphenyl)methylamino]propyl]methanesulfonamide (CID 103739279) is N-[3-[(2-cyclopropylphenyl)methylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(2-cyclopropylphenyl)methylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(2-cyclopropylphenyl)methylamino]propyl]methanesulfonamide is CS(=O)(=O)NCCCNCc1ccccc1C1CC1.
What is the InChIKey of N-[3-[(2-cyclopropylphenyl)methylamino]propyl]methanesulfonamide?
The InChIKey is QLEHEXGKSMFPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-19(17,18)16-10-4-9-15-11-13-5-2-3-6-14(13)12-7-8-12/h2-3,5-6,12,15-16H,4,7-11H2,1H3.
What are the key properties of N-[3-[(2-cyclopropylphenyl)methylamino]propyl]methanesulfonamide?
N-[3-[(2-cyclopropylphenyl)methylamino]propyl]methanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-cyclopropylphenyl)methylamino]propyl]methanesulfonamide is sourced from PubChem (CID 103739279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).