2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine

C10H25N3O2S — CID 106141764

IUPAC2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine
SMILESCC(C)NS(=O)(=O)NCC(C)(C)CCCN
InChIInChI=1S/C10H25N3O2S/c1-9(2)13-16(14,15)12-8-10(3,4)6-5-7-11/h9,12-13H,5-8,11H2,1-4H3
InChIKeyGRHWIHISNSDLER-UHFFFAOYSA-N
MW251.40 g/mol
LogP0.58
Rot. Bonds8

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

2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine (PubChem CID 106141764) has the molecular formula C10H25N3O2S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine
PubChem CID106141764
Molecular FormulaC10H25N3O2S
Molecular Weight251.40 g/mol
Exact Mass251.17
IUPAC Name2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine
SMILESCC(C)NS(=O)(=O)NCC(C)(C)CCCN
InChIInChI=1S/C10H25N3O2S/c1-9(2)13-16(14,15)12-8-10(3,4)6-5-7-11/h9,12-13H,5-8,11H2,1-4H3
InChIKeyGRHWIHISNSDLER-UHFFFAOYSA-N
XLogP0.58
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine?
The IUPAC name of 2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine (CID 106141764) is 2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine.
What is the SMILES notation for 2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine?
The canonical SMILES for 2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine is CC(C)NS(=O)(=O)NCC(C)(C)CCCN.
What is the InChIKey of 2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine?
The InChIKey is GRHWIHISNSDLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O2S/c1-9(2)13-16(14,15)12-8-10(3,4)6-5-7-11/h9,12-13H,5-8,11H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine?
2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine has a molecular weight of 251.40 g/mol, XLogP of 0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(propan-2-ylsulfamoyl)pentane-1,5-diamine is sourced from PubChem (CID 106141764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).