4-methyl-1-(propan-2-ylsulfamoylamino)pentan-2-ol

C9H22N2O3S — CID 103946765

IUPAC4-methyl-1-(propan-2-ylsulfamoylamino)pentan-2-ol
SMILESCC(C)CC(O)CNS(=O)(=O)NC(C)C
InChIInChI=1S/C9H22N2O3S/c1-7(2)5-9(12)6-10-15(13,14)11-8(3)4/h7-12H,5-6H2,1-4H3
InChIKeyQJPQHNFDNMJCGD-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.23
Rot. Bonds7

About 4-methyl-1-(propan-2-ylsulfamoylamino)pentan-2-ol

4-methyl-1-(propan-2-ylsulfamoylamino)pentan-2-ol (PubChem CID 103946765) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 4-methyl-1-(propan-2-ylsulfamoylamino)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-(propan-2-ylsulfamoylamino)pentan-2-ol
PubChem CID103946765
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name4-methyl-1-(propan-2-ylsulfamoylamino)pentan-2-ol
SMILESCC(C)CC(O)CNS(=O)(=O)NC(C)C
InChIInChI=1S/C9H22N2O3S/c1-7(2)5-9(12)6-10-15(13,14)11-8(3)4/h7-12H,5-6H2,1-4H3
InChIKeyQJPQHNFDNMJCGD-UHFFFAOYSA-N
XLogP0.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(propan-2-ylsulfamoylamino)pentan-2-ol?
The IUPAC name of 4-methyl-1-(propan-2-ylsulfamoylamino)pentan-2-ol (CID 103946765) is 4-methyl-1-(propan-2-ylsulfamoylamino)pentan-2-ol.
What is the SMILES notation for 4-methyl-1-(propan-2-ylsulfamoylamino)pentan-2-ol?
The canonical SMILES for 4-methyl-1-(propan-2-ylsulfamoylamino)pentan-2-ol is CC(C)CC(O)CNS(=O)(=O)NC(C)C.
What is the InChIKey of 4-methyl-1-(propan-2-ylsulfamoylamino)pentan-2-ol?
The InChIKey is QJPQHNFDNMJCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-7(2)5-9(12)6-10-15(13,14)11-8(3)4/h7-12H,5-6H2,1-4H3.
What are the key properties of 4-methyl-1-(propan-2-ylsulfamoylamino)pentan-2-ol?
4-methyl-1-(propan-2-ylsulfamoylamino)pentan-2-ol has a molecular weight of 238.35 g/mol, XLogP of 0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(propan-2-ylsulfamoylamino)pentan-2-ol is sourced from PubChem (CID 103946765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).