1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2,4-dimethylpentane

C12H28N2O3S — CID 66178603

IUPAC1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2,4-dimethylpentane
SMILESCCCCN(C)S(=O)(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C12H28N2O3S/c1-6-7-8-14(5)18(16,17)13-10-12(4,15)9-11(2)3/h11,13,15H,6-10H2,1-5H3
InChIKeyDVEXWVDGZNBTIE-UHFFFAOYSA-N
MW280.43 g/mol
LogP1.35
Rot. Bonds9

About 1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2,4-dimethylpentane

1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2,4-dimethylpentane (PubChem CID 66178603) has the molecular formula C12H28N2O3S and a molecular weight of 280.43 g/mol. Its IUPAC name is 1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2,4-dimethylpentane.

Molecular Properties

Compound Name1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2,4-dimethylpentane
PubChem CID66178603
Molecular FormulaC12H28N2O3S
Molecular Weight280.43 g/mol
Exact Mass280.18
IUPAC Name1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2,4-dimethylpentane
SMILESCCCCN(C)S(=O)(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C12H28N2O3S/c1-6-7-8-14(5)18(16,17)13-10-12(4,15)9-11(2)3/h11,13,15H,6-10H2,1-5H3
InChIKeyDVEXWVDGZNBTIE-UHFFFAOYSA-N
XLogP1.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2,4-dimethylpentane?
The IUPAC name of 1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2,4-dimethylpentane (CID 66178603) is 1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2,4-dimethylpentane.
What is the SMILES notation for 1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2,4-dimethylpentane?
The canonical SMILES for 1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2,4-dimethylpentane is CCCCN(C)S(=O)(=O)NCC(C)(O)CC(C)C.
What is the InChIKey of 1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2,4-dimethylpentane?
The InChIKey is DVEXWVDGZNBTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3S/c1-6-7-8-14(5)18(16,17)13-10-12(4,15)9-11(2)3/h11,13,15H,6-10H2,1-5H3.
What are the key properties of 1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2,4-dimethylpentane?
1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2,4-dimethylpentane has a molecular weight of 280.43 g/mol, XLogP of 1.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2,4-dimethylpentane is sourced from PubChem (CID 66178603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).