2-amino-1-(dimethylsulfamoylamino)-4-methylpentane

C8H21N3O2S — CID 43606398

IUPAC2-amino-1-(dimethylsulfamoylamino)-4-methylpentane
SMILESCC(C)CC(N)CNS(=O)(=O)N(C)C
InChIInChI=1S/C8H21N3O2S/c1-7(2)5-8(9)6-10-14(12,13)11(3)4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyOBMWAAIHMFLDPL-UHFFFAOYSA-N
MW223.34 g/mol
LogP-0.24
Rot. Bonds6

About 2-amino-1-(dimethylsulfamoylamino)-4-methylpentane

2-amino-1-(dimethylsulfamoylamino)-4-methylpentane (PubChem CID 43606398) has the molecular formula C8H21N3O2S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-amino-1-(dimethylsulfamoylamino)-4-methylpentane.

Molecular Properties

Compound Name2-amino-1-(dimethylsulfamoylamino)-4-methylpentane
PubChem CID43606398
Molecular FormulaC8H21N3O2S
Molecular Weight223.34 g/mol
Exact Mass223.14
IUPAC Name2-amino-1-(dimethylsulfamoylamino)-4-methylpentane
SMILESCC(C)CC(N)CNS(=O)(=O)N(C)C
InChIInChI=1S/C8H21N3O2S/c1-7(2)5-8(9)6-10-14(12,13)11(3)4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyOBMWAAIHMFLDPL-UHFFFAOYSA-N
XLogP-0.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane
CID 91659860
CID 154708554
CID 154708554
2-Methyl-4-[methyl(methylsulfamoyl)amino]pentane
CID 154708555
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
1-(Dimethylsulfamoylamino)-4-methylpentane
CID 21021023
4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine
CID 22966185
(2R)-2-(dimethylsulfamoylamino)-4-methylpentane
CID 58923230
2-Methyl-3-(3-methylbutyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 70939954
(2S)-1-N-(dimethylsulfamoyl)-1-N,2-N,3-trimethylbutane-1,2-diamine
CID 89050450
2-Amino-1-(dimethylsulfamoylamino)-3,3-dimethylbutane
CID 89148987
1-(Dimethylsulfamoylamino)-5-methylhexane
CID 110672096

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(dimethylsulfamoylamino)-4-methylpentane?
The IUPAC name of 2-amino-1-(dimethylsulfamoylamino)-4-methylpentane (CID 43606398) is 2-amino-1-(dimethylsulfamoylamino)-4-methylpentane.
What is the SMILES notation for 2-amino-1-(dimethylsulfamoylamino)-4-methylpentane?
The canonical SMILES for 2-amino-1-(dimethylsulfamoylamino)-4-methylpentane is CC(C)CC(N)CNS(=O)(=O)N(C)C.
What is the InChIKey of 2-amino-1-(dimethylsulfamoylamino)-4-methylpentane?
The InChIKey is OBMWAAIHMFLDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2S/c1-7(2)5-8(9)6-10-14(12,13)11(3)4/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of 2-amino-1-(dimethylsulfamoylamino)-4-methylpentane?
2-amino-1-(dimethylsulfamoylamino)-4-methylpentane has a molecular weight of 223.34 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(dimethylsulfamoylamino)-4-methylpentane is sourced from PubChem (CID 43606398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).