1-[1-(dimethylsulfamoylamino)-2-methylpropyl]-4-propylbenzene

C15H26N2O2S — CID 42955161

IUPAC1-[1-(dimethylsulfamoylamino)-2-methylpropyl]-4-propylbenzene
SMILESCCCc1ccc(C(NS(=O)(=O)N(C)C)C(C)C)cc1
InChIInChI=1S/C15H26N2O2S/c1-6-7-13-8-10-14(11-9-13)15(12(2)3)16-20(18,19)17(4)5/h8-12,15-16H,6-7H2,1-5H3
InChIKeyUVPATZMUEQCXQJ-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.73
Rot. Bonds7

About 1-[1-(dimethylsulfamoylamino)-2-methylpropyl]-4-propylbenzene

1-[1-(dimethylsulfamoylamino)-2-methylpropyl]-4-propylbenzene (PubChem CID 42955161) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-[1-(dimethylsulfamoylamino)-2-methylpropyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[1-(dimethylsulfamoylamino)-2-methylpropyl]-4-propylbenzene
PubChem CID42955161
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name1-[1-(dimethylsulfamoylamino)-2-methylpropyl]-4-propylbenzene
SMILESCCCc1ccc(C(NS(=O)(=O)N(C)C)C(C)C)cc1
InChIInChI=1S/C15H26N2O2S/c1-6-7-13-8-10-14(11-9-13)15(12(2)3)16-20(18,19)17(4)5/h8-12,15-16H,6-7H2,1-5H3
InChIKeyUVPATZMUEQCXQJ-UHFFFAOYSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-[[2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 78818491
N-[4-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]sulfamoyl]phenyl]acetamide
CID 26531464
N-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 8970456
[2-methylsulfonyl-1-(4-propylphenyl)propyl]hydrazine
CID 105303830
1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43393753
(2R)-2-amino-N-[2-methyl-1-(4-propylphenyl)propyl]propanamide
CID 119273049
N-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide
CID 26001989
1-methyl-3-[(1S)-2-methyl-1-(4-propylphenyl)propyl]thiourea
CID 9284138
1-(4-butylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518607
(2S)-N-carbamoyl-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]propanamide
CID 8970695
N'-methyl-N'-(3-methylbutan-2-yl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 43569993
4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204665

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylsulfamoylamino)-2-methylpropyl]-4-propylbenzene?
The IUPAC name of 1-[1-(dimethylsulfamoylamino)-2-methylpropyl]-4-propylbenzene (CID 42955161) is 1-[1-(dimethylsulfamoylamino)-2-methylpropyl]-4-propylbenzene.
What is the SMILES notation for 1-[1-(dimethylsulfamoylamino)-2-methylpropyl]-4-propylbenzene?
The canonical SMILES for 1-[1-(dimethylsulfamoylamino)-2-methylpropyl]-4-propylbenzene is CCCc1ccc(C(NS(=O)(=O)N(C)C)C(C)C)cc1.
What is the InChIKey of 1-[1-(dimethylsulfamoylamino)-2-methylpropyl]-4-propylbenzene?
The InChIKey is UVPATZMUEQCXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-6-7-13-8-10-14(11-9-13)15(12(2)3)16-20(18,19)17(4)5/h8-12,15-16H,6-7H2,1-5H3.
What are the key properties of 1-[1-(dimethylsulfamoylamino)-2-methylpropyl]-4-propylbenzene?
1-[1-(dimethylsulfamoylamino)-2-methylpropyl]-4-propylbenzene has a molecular weight of 298.45 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylsulfamoylamino)-2-methylpropyl]-4-propylbenzene is sourced from PubChem (CID 42955161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).