2,4-dimethyl-2-N-(methylsulfamoyl)pentane-1,2-diamine

C8H21N3O2S — CID 114811263

IUPAC2,4-dimethyl-2-N-(methylsulfamoyl)pentane-1,2-diamine
SMILESCNS(=O)(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C8H21N3O2S/c1-7(2)5-8(3,6-9)11-14(12,13)10-4/h7,10-11H,5-6,9H2,1-4H3
InChIKeyWXURURFPXBAHMH-UHFFFAOYSA-N
MW223.34 g/mol
LogP-0.20
Rot. Bonds6

About 2,4-dimethyl-2-N-(methylsulfamoyl)pentane-1,2-diamine

2,4-dimethyl-2-N-(methylsulfamoyl)pentane-1,2-diamine (PubChem CID 114811263) has the molecular formula C8H21N3O2S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2,4-dimethyl-2-N-(methylsulfamoyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2,4-dimethyl-2-N-(methylsulfamoyl)pentane-1,2-diamine
PubChem CID114811263
Molecular FormulaC8H21N3O2S
Molecular Weight223.34 g/mol
Exact Mass223.14
IUPAC Name2,4-dimethyl-2-N-(methylsulfamoyl)pentane-1,2-diamine
SMILESCNS(=O)(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C8H21N3O2S/c1-7(2)5-8(3,6-9)11-14(12,13)10-4/h7,10-11H,5-6,9H2,1-4H3
InChIKeyWXURURFPXBAHMH-UHFFFAOYSA-N
XLogP-0.20
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)methanesulfonamide
CID 84591478
3-Amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane
CID 91659860
4-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113637345
4-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113637383
2,4-dimethyl-2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113637456
1-(Dimethylsulfamoylamino)-4-methylpentane
CID 21021023
4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine
CID 22966185
(2R)-2-(dimethylsulfamoylamino)-4-methylpentane
CID 58923230
3,3-Di(propan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 58964382
4-Methyl-1-(sulfamoylamino)pentane
CID 59849306
3-[(Sulfamoylamino)methyl]heptane
CID 87574850
1-(Dimethylsulfamoylamino)-5-methylhexane
CID 110672096

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-N-(methylsulfamoyl)pentane-1,2-diamine?
The IUPAC name of 2,4-dimethyl-2-N-(methylsulfamoyl)pentane-1,2-diamine (CID 114811263) is 2,4-dimethyl-2-N-(methylsulfamoyl)pentane-1,2-diamine.
What is the SMILES notation for 2,4-dimethyl-2-N-(methylsulfamoyl)pentane-1,2-diamine?
The canonical SMILES for 2,4-dimethyl-2-N-(methylsulfamoyl)pentane-1,2-diamine is CNS(=O)(=O)NC(C)(CN)CC(C)C.
What is the InChIKey of 2,4-dimethyl-2-N-(methylsulfamoyl)pentane-1,2-diamine?
The InChIKey is WXURURFPXBAHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2S/c1-7(2)5-8(3,6-9)11-14(12,13)10-4/h7,10-11H,5-6,9H2,1-4H3.
What are the key properties of 2,4-dimethyl-2-N-(methylsulfamoyl)pentane-1,2-diamine?
2,4-dimethyl-2-N-(methylsulfamoyl)pentane-1,2-diamine has a molecular weight of 223.34 g/mol, XLogP of -0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-N-(methylsulfamoyl)pentane-1,2-diamine is sourced from PubChem (CID 114811263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).