2-N,2-diethyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine

C12H29N3O2S — CID 62007461

IUPAC2-N,2-diethyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine
SMILESCCN(C(CC)(CC)CN)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C12H29N3O2S/c1-7-12(8-2,10-13)15(9-3)18(16,17)14(6)11(4)5/h11H,7-10,13H2,1-6H3
InChIKeyFWASDAOHRDOYRY-UHFFFAOYSA-N
MW279.45 g/mol
LogP1.41
Rot. Bonds8

About 2-N,2-diethyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine

2-N,2-diethyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine (PubChem CID 62007461) has the molecular formula C12H29N3O2S and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-N,2-diethyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-diethyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine
PubChem CID62007461
Molecular FormulaC12H29N3O2S
Molecular Weight279.45 g/mol
Exact Mass279.20
IUPAC Name2-N,2-diethyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine
SMILESCCN(C(CC)(CC)CN)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C12H29N3O2S/c1-7-12(8-2,10-13)15(9-3)18(16,17)14(6)11(4)5/h11H,7-10,13H2,1-6H3
InChIKeyFWASDAOHRDOYRY-UHFFFAOYSA-N
XLogP1.41
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-diethyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine?
The IUPAC name of 2-N,2-diethyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine (CID 62007461) is 2-N,2-diethyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine.
What is the SMILES notation for 2-N,2-diethyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine?
The canonical SMILES for 2-N,2-diethyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine is CCN(C(CC)(CC)CN)S(=O)(=O)N(C)C(C)C.
What is the InChIKey of 2-N,2-diethyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine?
The InChIKey is FWASDAOHRDOYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O2S/c1-7-12(8-2,10-13)15(9-3)18(16,17)14(6)11(4)5/h11H,7-10,13H2,1-6H3.
What are the key properties of 2-N,2-diethyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine?
2-N,2-diethyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine has a molecular weight of 279.45 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-diethyl-2-N-[methyl(propan-2-yl)sulfamoyl]butane-1,2-diamine is sourced from PubChem (CID 62007461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).