1-(dimethylsulfamoylamino)-4-methylpentane

C8H20N2O2S — CID 21021023

IUPAC1-(dimethylsulfamoylamino)-4-methylpentane
SMILESCC(C)CCCNS(=O)(=O)N(C)C
InChIInChI=1S/C8H20N2O2S/c1-8(2)6-5-7-9-13(11,12)10(3)4/h8-9H,5-7H2,1-4H3
InChIKeyPBRKTHDFLIXROW-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.82
Rot. Bonds6

About 1-(dimethylsulfamoylamino)-4-methylpentane

1-(dimethylsulfamoylamino)-4-methylpentane (PubChem CID 21021023) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-4-methylpentane.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-4-methylpentane
PubChem CID21021023
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name1-(dimethylsulfamoylamino)-4-methylpentane
SMILESCC(C)CCCNS(=O)(=O)N(C)C
InChIInChI=1S/C8H20N2O2S/c1-8(2)6-5-7-9-13(11,12)10(3)4/h8-9H,5-7H2,1-4H3
InChIKeyPBRKTHDFLIXROW-UHFFFAOYSA-N
XLogP0.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(3-methylbutylsulfamoyl)butan-1-amine
CID 102243142
3-(Dimethylsulfamoylamino)propylcyclohexane
CID 53535321
2-Methyl-4-[methyl(methylsulfamoyl)amino]pentane
CID 154708555
2-methyl-N'-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine
CID 114150922
[(Hexylamino)sulfonyl]dimethylamine
CID 3637328
2,4,4-trimethyl-N-(2,4,4-trimethylpentylsulfamoyl)pentan-1-amine
CID 20240475
N'-[4-(aminomethyl)cyclohexyl]methyl-N,N-dimethylsulfamide
CID 22254077
4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine
CID 22966185
(Dimethylsulfamoylamino)methylcyclohexane
CID 35292128
N,3,5-trimethylpiperidine-1-sulfonamide
CID 43245048
3-[(Dimethylsulfamoylamino)methyl]-2,2,4-trimethylpentane
CID 58124476
(2R)-2-(dimethylsulfamoylamino)-4-methylpentane
CID 58923230

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)-4-methylpentane?
The IUPAC name of 1-(dimethylsulfamoylamino)-4-methylpentane (CID 21021023) is 1-(dimethylsulfamoylamino)-4-methylpentane.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-4-methylpentane?
The canonical SMILES for 1-(dimethylsulfamoylamino)-4-methylpentane is CC(C)CCCNS(=O)(=O)N(C)C.
What is the InChIKey of 1-(dimethylsulfamoylamino)-4-methylpentane?
The InChIKey is PBRKTHDFLIXROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-8(2)6-5-7-9-13(11,12)10(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-(dimethylsulfamoylamino)-4-methylpentane?
1-(dimethylsulfamoylamino)-4-methylpentane has a molecular weight of 208.33 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-4-methylpentane is sourced from PubChem (CID 21021023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).