5-(2-methylpropylsulfamoylamino)pentan-2-ol

C9H22N2O3S — CID 106125878

IUPAC5-(2-methylpropylsulfamoylamino)pentan-2-ol
SMILESCC(C)CNS(=O)(=O)NCCCC(C)O
InChIInChI=1S/C9H22N2O3S/c1-8(2)7-11-15(13,14)10-6-4-5-9(3)12/h8-12H,4-7H2,1-3H3
InChIKeyIFXAWBUVYNERLA-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.23
Rot. Bonds8

About 5-(2-methylpropylsulfamoylamino)pentan-2-ol

5-(2-methylpropylsulfamoylamino)pentan-2-ol (PubChem CID 106125878) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 5-(2-methylpropylsulfamoylamino)pentan-2-ol.

Molecular Properties

Compound Name5-(2-methylpropylsulfamoylamino)pentan-2-ol
PubChem CID106125878
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name5-(2-methylpropylsulfamoylamino)pentan-2-ol
SMILESCC(C)CNS(=O)(=O)NCCCC(C)O
InChIInChI=1S/C9H22N2O3S/c1-8(2)7-11-15(13,14)10-6-4-5-9(3)12/h8-12H,4-7H2,1-3H3
InChIKeyIFXAWBUVYNERLA-UHFFFAOYSA-N
XLogP0.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropylsulfamoylamino)pentan-2-ol?
The IUPAC name of 5-(2-methylpropylsulfamoylamino)pentan-2-ol (CID 106125878) is 5-(2-methylpropylsulfamoylamino)pentan-2-ol.
What is the SMILES notation for 5-(2-methylpropylsulfamoylamino)pentan-2-ol?
The canonical SMILES for 5-(2-methylpropylsulfamoylamino)pentan-2-ol is CC(C)CNS(=O)(=O)NCCCC(C)O.
What is the InChIKey of 5-(2-methylpropylsulfamoylamino)pentan-2-ol?
The InChIKey is IFXAWBUVYNERLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-8(2)7-11-15(13,14)10-6-4-5-9(3)12/h8-12H,4-7H2,1-3H3.
What are the key properties of 5-(2-methylpropylsulfamoylamino)pentan-2-ol?
5-(2-methylpropylsulfamoylamino)pentan-2-ol has a molecular weight of 238.35 g/mol, XLogP of 0.23, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylsulfamoylamino)pentan-2-ol is sourced from PubChem (CID 106125878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).