3-(dimethylsulfamoylamino)pentane

C7H18N2O2S — CID 3288703

IUPAC3-(dimethylsulfamoylamino)pentane
SMILESCCC(CC)NS(=O)(=O)N(C)C
InChIInChI=1S/C7H18N2O2S/c1-5-7(6-2)8-12(10,11)9(3)4/h7-8H,5-6H2,1-4H3
InChIKeyQMIWSOMPFSVUOI-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.57
Rot. Bonds5

About 3-(dimethylsulfamoylamino)pentane

3-(dimethylsulfamoylamino)pentane (PubChem CID 3288703) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)pentane.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)pentane
PubChem CID3288703
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC Name3-(dimethylsulfamoylamino)pentane
SMILESCCC(CC)NS(=O)(=O)N(C)C
InChIInChI=1S/C7H18N2O2S/c1-5-7(6-2)8-12(10,11)9(3)4/h7-8H,5-6H2,1-4H3
InChIKeyQMIWSOMPFSVUOI-UHFFFAOYSA-N
XLogP0.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylsulfamoylamino)-1-hydroxybutane
CID 43501763
(2R)-1-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 103918549
2-(dimethylsulfamoylamino)pentane
CID 4635587
2-(dimethylsulfamoylamino)pentanoic acid
CID 43631196
1-bromo-3-(dimethylsulfamoylamino)butane
CID 83178686
2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane
CID 79022091
5-[(1R)-1-(dimethylsulfamoylamino)propyl]-1-ethyl-1,2,4-triazole
CID 125442226
2-(pentan-3-ylsulfamoyl)propanoic acid
CID 61454293
1-(dimethylsulfamoylamino)-3-methyl-2-oxobutane
CID 64996112
1-methoxy-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]butane
CID 106068275
N-(1-bromobutan-2-yl)ethanesulfonamide
CID 114298468
1-hydroxybutan-2-ylsulfamic acid
CID 150046835

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)pentane?
The IUPAC name of 3-(dimethylsulfamoylamino)pentane (CID 3288703) is 3-(dimethylsulfamoylamino)pentane.
What is the SMILES notation for 3-(dimethylsulfamoylamino)pentane?
The canonical SMILES for 3-(dimethylsulfamoylamino)pentane is CCC(CC)NS(=O)(=O)N(C)C.
What is the InChIKey of 3-(dimethylsulfamoylamino)pentane?
The InChIKey is QMIWSOMPFSVUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-5-7(6-2)8-12(10,11)9(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-(dimethylsulfamoylamino)pentane?
3-(dimethylsulfamoylamino)pentane has a molecular weight of 194.30 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)pentane is sourced from PubChem (CID 3288703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).