2,2-dimethyl-N-(propylsulfamoyl)pentane-1,5-diamine

C10H25N3O2S — CID 106141897

IUPAC2,2-dimethyl-N-(propylsulfamoyl)pentane-1,5-diamine
SMILESCCCNS(=O)(=O)NCC(C)(C)CCCN
InChIInChI=1S/C10H25N3O2S/c1-4-8-12-16(14,15)13-9-10(2,3)6-5-7-11/h12-13H,4-9,11H2,1-3H3
InChIKeyWMEGYKHUZWJIOY-UHFFFAOYSA-N
MW251.40 g/mol
LogP0.59
Rot. Bonds9

About 2,2-dimethyl-N-(propylsulfamoyl)pentane-1,5-diamine

2,2-dimethyl-N-(propylsulfamoyl)pentane-1,5-diamine (PubChem CID 106141897) has the molecular formula C10H25N3O2S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-(propylsulfamoyl)pentane-1,5-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N-(propylsulfamoyl)pentane-1,5-diamine
PubChem CID106141897
Molecular FormulaC10H25N3O2S
Molecular Weight251.40 g/mol
Exact Mass251.17
IUPAC Name2,2-dimethyl-N-(propylsulfamoyl)pentane-1,5-diamine
SMILESCCCNS(=O)(=O)NCC(C)(C)CCCN
InChIInChI=1S/C10H25N3O2S/c1-4-8-12-16(14,15)13-9-10(2,3)6-5-7-11/h12-13H,4-9,11H2,1-3H3
InChIKeyWMEGYKHUZWJIOY-UHFFFAOYSA-N
XLogP0.59
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pentylsulfamoyl)pentan-1-amine
CID 87691893
N-(4,4-dimethylpentyl)sulfamoyl fluoride
CID 59881111
2,2-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,5-diamine
CID 114149107
2,4,4-trimethyl-N-(2,4,4-trimethylpentylsulfamoyl)pentan-1-amine
CID 20240475
N-(4,4-dimethylpentyl)-2-methylpropane-2-sulfonamide
CID 20657896
3,3,4,4-tetramethyl-N-(methylsulfamoyl)pentan-1-amine
CID 20706577
N-(5,5-dimethylhexyl)methanesulfonamide
CID 20706690
N-(4,4-dimethylpentyl)methanesulfonamide
CID 20776366
1-(Dimethylsulfamoylamino)-4-methylpentane
CID 21021023
4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine
CID 22966185
2,4,4-Trimethyl-1-(sulfinatoamino)pentane
CID 57421733
3,5,5-Trimethyl-1-(sulfinatoamino)hexane
CID 57421741

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(propylsulfamoyl)pentane-1,5-diamine?
The IUPAC name of 2,2-dimethyl-N-(propylsulfamoyl)pentane-1,5-diamine (CID 106141897) is 2,2-dimethyl-N-(propylsulfamoyl)pentane-1,5-diamine.
What is the SMILES notation for 2,2-dimethyl-N-(propylsulfamoyl)pentane-1,5-diamine?
The canonical SMILES for 2,2-dimethyl-N-(propylsulfamoyl)pentane-1,5-diamine is CCCNS(=O)(=O)NCC(C)(C)CCCN.
What is the InChIKey of 2,2-dimethyl-N-(propylsulfamoyl)pentane-1,5-diamine?
The InChIKey is WMEGYKHUZWJIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O2S/c1-4-8-12-16(14,15)13-9-10(2,3)6-5-7-11/h12-13H,4-9,11H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(propylsulfamoyl)pentane-1,5-diamine?
2,2-dimethyl-N-(propylsulfamoyl)pentane-1,5-diamine has a molecular weight of 251.40 g/mol, XLogP of 0.59, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(propylsulfamoyl)pentane-1,5-diamine is sourced from PubChem (CID 106141897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).