3-methyl-3-(propylsulfamoylamino)pentan-1-ol

C9H22N2O3S — CID 106169596

IUPAC3-methyl-3-(propylsulfamoylamino)pentan-1-ol
SMILESCCCNS(=O)(=O)NC(C)(CC)CCO
InChIInChI=1S/C9H22N2O3S/c1-4-7-10-15(13,14)11-9(3,5-2)6-8-12/h10-12H,4-8H2,1-3H3
InChIKeySGXOGVHPWOAKMH-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.37
Rot. Bonds8

About 3-methyl-3-(propylsulfamoylamino)pentan-1-ol

3-methyl-3-(propylsulfamoylamino)pentan-1-ol (PubChem CID 106169596) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 3-methyl-3-(propylsulfamoylamino)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(propylsulfamoylamino)pentan-1-ol
PubChem CID106169596
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name3-methyl-3-(propylsulfamoylamino)pentan-1-ol
SMILESCCCNS(=O)(=O)NC(C)(CC)CCO
InChIInChI=1S/C9H22N2O3S/c1-4-7-10-15(13,14)11-9(3,5-2)6-8-12/h10-12H,4-8H2,1-3H3
InChIKeySGXOGVHPWOAKMH-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-(1-hydroxy-3-methylpentan-3-yl)ethanesulfonamide
CID 106169682
2-ethyl-2-N-(propylsulfamoyl)butane-1,2-diamine
CID 114803671
methyl 3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]propanoate
CID 106169758
N-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide
CID 106176447
2,2-dimethyl-N-(propylsulfamoyl)butane-1,4-diamine
CID 106141642
N-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yloxyethanesulfonamide
CID 106169938
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide
CID 106170160
2,2-dimethyl-N'-(propylsulfamoyl)propane-1,3-diamine
CID 114804144
3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-4-methylbenzoic acid
CID 106168429
methyl N-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]carbamate
CID 114464222
N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 106169794
5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-sulfonamide
CID 114153362

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(propylsulfamoylamino)pentan-1-ol?
The IUPAC name of 3-methyl-3-(propylsulfamoylamino)pentan-1-ol (CID 106169596) is 3-methyl-3-(propylsulfamoylamino)pentan-1-ol.
What is the SMILES notation for 3-methyl-3-(propylsulfamoylamino)pentan-1-ol?
The canonical SMILES for 3-methyl-3-(propylsulfamoylamino)pentan-1-ol is CCCNS(=O)(=O)NC(C)(CC)CCO.
What is the InChIKey of 3-methyl-3-(propylsulfamoylamino)pentan-1-ol?
The InChIKey is SGXOGVHPWOAKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-4-7-10-15(13,14)11-9(3,5-2)6-8-12/h10-12H,4-8H2,1-3H3.
What are the key properties of 3-methyl-3-(propylsulfamoylamino)pentan-1-ol?
3-methyl-3-(propylsulfamoylamino)pentan-1-ol has a molecular weight of 238.35 g/mol, XLogP of 0.37, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(propylsulfamoylamino)pentan-1-ol is sourced from PubChem (CID 106169596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).