N-[3-[4-(3-methylphenyl)butan-2-ylamino]propyl]methanesulfonamide

C15H26N2O2S — CID 103776608

IUPACN-[3-[4-(3-methylphenyl)butan-2-ylamino]propyl]methanesulfonamide
SMILESCc1cccc(CCC(C)NCCCNS(C)(=O)=O)c1
InChIInChI=1S/C15H26N2O2S/c1-13-6-4-7-15(12-13)9-8-14(2)16-10-5-11-17-20(3,18)19/h4,6-7,12,14,16-17H,5,8-11H2,1-3H3
InChIKeyOFAVCIMBNBNSAY-UHFFFAOYSA-N
MW298.45 g/mol
LogP1.85
Rot. Bonds9

About N-[3-[4-(3-methylphenyl)butan-2-ylamino]propyl]methanesulfonamide

N-[3-[4-(3-methylphenyl)butan-2-ylamino]propyl]methanesulfonamide (PubChem CID 103776608) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[3-[4-(3-methylphenyl)butan-2-ylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(3-methylphenyl)butan-2-ylamino]propyl]methanesulfonamide
PubChem CID103776608
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-[3-[4-(3-methylphenyl)butan-2-ylamino]propyl]methanesulfonamide
SMILESCc1cccc(CCC(C)NCCCNS(C)(=O)=O)c1
InChIInChI=1S/C15H26N2O2S/c1-13-6-4-7-15(12-13)9-8-14(2)16-10-5-11-17-20(3,18)19/h4,6-7,12,14,16-17H,5,8-11H2,1-3H3
InChIKeyOFAVCIMBNBNSAY-UHFFFAOYSA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[4-(3-methylphenyl)butan-2-ylamino]propyl]methanesulfonamide 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

4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
2-[4-(3-methylphenyl)butan-2-ylamino]ethanesulfonamide
CID 61169942
N-(3-ethylsulfanylpropyl)-4-(3-methylphenyl)butan-2-amine
CID 114247868
3-[4-(3-methylphenyl)butan-2-ylamino]propanoic acid
CID 61171891
1-ethylsulfonyl-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 113350740
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
N-cyclopropyl-4-[4-(3-methylphenyl)butan-2-ylamino]butanamide
CID 79377026
N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 64680088
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine
CID 63450215
4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine
CID 114615744

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-methylphenyl)butan-2-ylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[4-(3-methylphenyl)butan-2-ylamino]propyl]methanesulfonamide (CID 103776608) is N-[3-[4-(3-methylphenyl)butan-2-ylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-(3-methylphenyl)butan-2-ylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-(3-methylphenyl)butan-2-ylamino]propyl]methanesulfonamide is Cc1cccc(CCC(C)NCCCNS(C)(=O)=O)c1.
What is the InChIKey of N-[3-[4-(3-methylphenyl)butan-2-ylamino]propyl]methanesulfonamide?
The InChIKey is OFAVCIMBNBNSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-13-6-4-7-15(12-13)9-8-14(2)16-10-5-11-17-20(3,18)19/h4,6-7,12,14,16-17H,5,8-11H2,1-3H3.
What are the key properties of N-[3-[4-(3-methylphenyl)butan-2-ylamino]propyl]methanesulfonamide?
N-[3-[4-(3-methylphenyl)butan-2-ylamino]propyl]methanesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-methylphenyl)butan-2-ylamino]propyl]methanesulfonamide is sourced from PubChem (CID 103776608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).