N-[2-methyl-1-(4-phenylbutylamino)propan-2-yl]methanesulfonamide

C15H26N2O2S — CID 114333365

IUPACN-[2-methyl-1-(4-phenylbutylamino)propan-2-yl]methanesulfonamide
SMILESCC(C)(CNCCCCc1ccccc1)NS(C)(=O)=O
InChIInChI=1S/C15H26N2O2S/c1-15(2,17-20(3,18)19)13-16-12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,16-17H,7-8,11-13H2,1-3H3
InChIKeyNMAMMGVYOCDVCU-UHFFFAOYSA-N
MW298.45 g/mol
LogP1.93
Rot. Bonds9

About N-[2-methyl-1-(4-phenylbutylamino)propan-2-yl]methanesulfonamide

N-[2-methyl-1-(4-phenylbutylamino)propan-2-yl]methanesulfonamide (PubChem CID 114333365) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[2-methyl-1-(4-phenylbutylamino)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-(4-phenylbutylamino)propan-2-yl]methanesulfonamide
PubChem CID114333365
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-[2-methyl-1-(4-phenylbutylamino)propan-2-yl]methanesulfonamide
SMILESCC(C)(CNCCCCc1ccccc1)NS(C)(=O)=O
InChIInChI=1S/C15H26N2O2S/c1-15(2,17-20(3,18)19)13-16-12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,16-17H,7-8,11-13H2,1-3H3
InChIKeyNMAMMGVYOCDVCU-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
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-(3-phenylpropylamino)ethyl]methanesulfonamide
CID 40718580
methanesulfonic acid;4-phenylbutan-1-ol
CID 71375764
N'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine
CID 113405378
N-ethyl-17-phenylheptadecan-1-amine
CID 139804977
N-ethyl-N-[3-(4-phenylbutylamino)propyl]methanesulfonamide
CID 114333227
2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine
CID 114333508
11-phenyl-N-undecylundecan-1-amine
CID 175593224
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
5-phenyl-N-propylpentan-1-amine
CID 62530615
4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-methylbutanamide
CID 63891851
N-[1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859862

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(4-phenylbutylamino)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-(4-phenylbutylamino)propan-2-yl]methanesulfonamide (CID 114333365) is N-[2-methyl-1-(4-phenylbutylamino)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-(4-phenylbutylamino)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-(4-phenylbutylamino)propan-2-yl]methanesulfonamide is CC(C)(CNCCCCc1ccccc1)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-1-(4-phenylbutylamino)propan-2-yl]methanesulfonamide?
The InChIKey is NMAMMGVYOCDVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-15(2,17-20(3,18)19)13-16-12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,16-17H,7-8,11-13H2,1-3H3.
What are the key properties of N-[2-methyl-1-(4-phenylbutylamino)propan-2-yl]methanesulfonamide?
N-[2-methyl-1-(4-phenylbutylamino)propan-2-yl]methanesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(4-phenylbutylamino)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 114333365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).