2-methyl-5-(propan-2-ylsulfamoylamino)pentan-1-ol

C9H22N2O3S — CID 103946879

IUPAC2-methyl-5-(propan-2-ylsulfamoylamino)pentan-1-ol
SMILESCC(CO)CCCNS(=O)(=O)NC(C)C
InChIInChI=1S/C9H22N2O3S/c1-8(2)11-15(13,14)10-6-4-5-9(3)7-12/h8-12H,4-7H2,1-3H3
InChIKeyDFJXQUHMSYIHFX-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.23
Rot. Bonds8

About 2-methyl-5-(propan-2-ylsulfamoylamino)pentan-1-ol

2-methyl-5-(propan-2-ylsulfamoylamino)pentan-1-ol (PubChem CID 103946879) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-methyl-5-(propan-2-ylsulfamoylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-(propan-2-ylsulfamoylamino)pentan-1-ol
PubChem CID103946879
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name2-methyl-5-(propan-2-ylsulfamoylamino)pentan-1-ol
SMILESCC(CO)CCCNS(=O)(=O)NC(C)C
InChIInChI=1S/C9H22N2O3S/c1-8(2)11-15(13,14)10-6-4-5-9(3)7-12/h8-12H,4-7H2,1-3H3
InChIKeyDFJXQUHMSYIHFX-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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Related Compounds

5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane
CID 103858830
N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine
CID 114804063
N-(2-methylsulfonylethylsulfamoyl)propan-2-amine
CID 110612472
2-methyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol
CID 103914602
N-cyclopropyl-N'-(propan-2-ylsulfamoyl)propane-1,3-diamine
CID 114810384
2,6-dimethylheptane-1,7-diol
CID 12653721
2,7-dimethyloctane-1,8-diol
CID 11008425
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
methanesulfonic acid;2-methylheptan-1-ol
CID 175345727
N-(5-hydroxy-4-methylpentyl)naphthalene-1-sulfonamide
CID 103858821
3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide
CID 103858901
3-amino-N-(5-hydroxy-4-methylpentyl)-4,5-dimethylbenzenesulfonamide
CID 106152997

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(propan-2-ylsulfamoylamino)pentan-1-ol?
The IUPAC name of 2-methyl-5-(propan-2-ylsulfamoylamino)pentan-1-ol (CID 103946879) is 2-methyl-5-(propan-2-ylsulfamoylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-5-(propan-2-ylsulfamoylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-5-(propan-2-ylsulfamoylamino)pentan-1-ol is CC(CO)CCCNS(=O)(=O)NC(C)C.
What is the InChIKey of 2-methyl-5-(propan-2-ylsulfamoylamino)pentan-1-ol?
The InChIKey is DFJXQUHMSYIHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-8(2)11-15(13,14)10-6-4-5-9(3)7-12/h8-12H,4-7H2,1-3H3.
What are the key properties of 2-methyl-5-(propan-2-ylsulfamoylamino)pentan-1-ol?
2-methyl-5-(propan-2-ylsulfamoylamino)pentan-1-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 2-methyl-5-(propan-2-ylsulfamoylamino)pentan-1-ol is sourced from PubChem (CID 103946879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).