2-(dimethylsulfamoylamino)pentane

C7H18N2O2S — CID 4635587

IUPAC2-(dimethylsulfamoylamino)pentane
SMILESCCCC(C)NS(=O)(=O)N(C)C
InChIInChI=1S/C7H18N2O2S/c1-5-6-7(2)8-12(10,11)9(3)4/h7-8H,5-6H2,1-4H3
InChIKeyZSZSHVSTOSTWLN-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.57
Rot. Bonds5

About 2-(dimethylsulfamoylamino)pentane

2-(dimethylsulfamoylamino)pentane (PubChem CID 4635587) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)pentane.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)pentane
PubChem CID4635587
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC Name2-(dimethylsulfamoylamino)pentane
SMILESCCCC(C)NS(=O)(=O)N(C)C
InChIInChI=1S/C7H18N2O2S/c1-5-6-7(2)8-12(10,11)9(3)4/h7-8H,5-6H2,1-4H3
InChIKeyZSZSHVSTOSTWLN-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

1-bromo-3-(dimethylsulfamoylamino)butane
CID 83178686
2-[[3-aminopropyl(methyl)sulfamoyl]amino]pentane
CID 61456420
2-(dimethylsulfamoylamino)pentanoic acid
CID 43631196
3-(dimethylsulfamoylamino)pentane
CID 3288703
[3-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane
CID 106046227
2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane
CID 79022091
2-[[3-aminopropyl(methyl)sulfamoyl]amino]hexane
CID 62200403
2-(pentan-2-ylsulfamoyl)propanoic acid
CID 61454436
2-(dimethylsulfamoylamino)-1-hydroxybutane
CID 43501763
3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid
CID 61181867
1-bromo-3-[(dimethylsulfamoylamino)methyl]hexane
CID 106118384
3-[[methyl(propan-2-yl)sulfamoyl]amino]hex-1-yne
CID 106898864

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)pentane?
The IUPAC name of 2-(dimethylsulfamoylamino)pentane (CID 4635587) is 2-(dimethylsulfamoylamino)pentane.
What is the SMILES notation for 2-(dimethylsulfamoylamino)pentane?
The canonical SMILES for 2-(dimethylsulfamoylamino)pentane is CCCC(C)NS(=O)(=O)N(C)C.
What is the InChIKey of 2-(dimethylsulfamoylamino)pentane?
The InChIKey is ZSZSHVSTOSTWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-5-6-7(2)8-12(10,11)9(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(dimethylsulfamoylamino)pentane?
2-(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 2-(dimethylsulfamoylamino)pentane is sourced from PubChem (CID 4635587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).