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

C9H22N2O3S — CID 106353409

IUPAC4-methyl-3-(propylsulfamoylamino)pentan-1-ol
SMILESCCCNS(=O)(=O)NC(CCO)C(C)C
InChIInChI=1S/C9H22N2O3S/c1-4-6-10-15(13,14)11-9(5-7-12)8(2)3/h8-12H,4-7H2,1-3H3
InChIKeyJAVTXCIKZZDRAQ-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.23
Rot. Bonds8

About 4-methyl-3-(propylsulfamoylamino)pentan-1-ol

4-methyl-3-(propylsulfamoylamino)pentan-1-ol (PubChem CID 106353409) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 4-methyl-3-(propylsulfamoylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-(propylsulfamoylamino)pentan-1-ol
PubChem CID106353409
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name4-methyl-3-(propylsulfamoylamino)pentan-1-ol
SMILESCCCNS(=O)(=O)NC(CCO)C(C)C
InChIInChI=1S/C9H22N2O3S/c1-4-6-10-15(13,14)11-9(5-7-12)8(2)3/h8-12H,4-7H2,1-3H3
InChIKeyJAVTXCIKZZDRAQ-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

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Related Compounds

3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol
CID 106353414
(2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid
CID 104977826
(2S)-2-(propylsulfamoylamino)butan-1-ol
CID 104981941
2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol
CID 114815733
2-methylsulfanyl-3-(propylsulfamoylamino)butan-1-ol
CID 106157302
4-methyl-2-(propylsulfamoylamino)pentanoic acid
CID 114805227
5-(propylsulfamoylamino)pentan-2-ol
CID 106125663
N-(1-hydroxy-4-methylpentan-3-yl)-2-(propylsulfonylamino)propanamide
CID 103782266
N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide
CID 111466258
N'-hydroxy-3-(propylsulfamoylamino)butanimidamide
CID 104978411
N-[(3R)-1-hydroxy-4-methylpentan-3-yl]-4-methylbenzenesulfonamide
CID 97070553
1-ethyl-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 103708258

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(propylsulfamoylamino)pentan-1-ol?
The IUPAC name of 4-methyl-3-(propylsulfamoylamino)pentan-1-ol (CID 106353409) is 4-methyl-3-(propylsulfamoylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-3-(propylsulfamoylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-3-(propylsulfamoylamino)pentan-1-ol is CCCNS(=O)(=O)NC(CCO)C(C)C.
What is the InChIKey of 4-methyl-3-(propylsulfamoylamino)pentan-1-ol?
The InChIKey is JAVTXCIKZZDRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-4-6-10-15(13,14)11-9(5-7-12)8(2)3/h8-12H,4-7H2,1-3H3.
What are the key properties of 4-methyl-3-(propylsulfamoylamino)pentan-1-ol?
4-methyl-3-(propylsulfamoylamino)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 4-methyl-3-(propylsulfamoylamino)pentan-1-ol is sourced from PubChem (CID 106353409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).