5-(propylsulfamoylamino)pentan-2-ol

C8H20N2O3S — CID 106125663

IUPAC5-(propylsulfamoylamino)pentan-2-ol
SMILESCCCNS(=O)(=O)NCCCC(C)O
InChIInChI=1S/C8H20N2O3S/c1-3-6-9-14(12,13)10-7-4-5-8(2)11/h8-11H,3-7H2,1-2H3
InChIKeyOWPFCOVQJIARSN-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.02
Rot. Bonds8

About 5-(propylsulfamoylamino)pentan-2-ol

5-(propylsulfamoylamino)pentan-2-ol (PubChem CID 106125663) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is 5-(propylsulfamoylamino)pentan-2-ol.

Molecular Properties

Compound Name5-(propylsulfamoylamino)pentan-2-ol
PubChem CID106125663
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Name5-(propylsulfamoylamino)pentan-2-ol
SMILESCCCNS(=O)(=O)NCCCC(C)O
InChIInChI=1S/C8H20N2O3S/c1-3-6-9-14(12,13)10-7-4-5-8(2)11/h8-11H,3-7H2,1-2H3
InChIKeyOWPFCOVQJIARSN-UHFFFAOYSA-N
XLogP-0.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.02
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

N-(4-hydroxypentyl)-2-methylpropane-2-sulfonamide
CID 106125748
N-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide
CID 107271294
N-(4-hydroxypentyl)cyclopropanesulfonamide
CID 107271165
2-(4-hydroxypentylsulfamoyl)acetic acid
CID 106120521
5-(propylsulfamoylamino)pentanoic acid
CID 114806222
5-(ethylsulfamoylamino)-2-methylpentanoic acid
CID 114807097
N-(4-hydroxypentyl)propanamide
CID 107299540
N-(3-hydroxybutyl)propane-1-sulfonamide
CID 64723570
3-ethyl-1-(propylsulfamoylamino)pentan-2-ol
CID 106288196
2-[(propylsulfamoylamino)methyl]butanoic acid
CID 114806376
hexan-2-ol;pentan-2-ol
CID 88680973
5-(4-hydroxypentylamino)pentan-2-ol
CID 141381726

Frequently Asked Questions

What is the IUPAC name of 5-(propylsulfamoylamino)pentan-2-ol?
The IUPAC name of 5-(propylsulfamoylamino)pentan-2-ol (CID 106125663) is 5-(propylsulfamoylamino)pentan-2-ol.
What is the SMILES notation for 5-(propylsulfamoylamino)pentan-2-ol?
The canonical SMILES for 5-(propylsulfamoylamino)pentan-2-ol is CCCNS(=O)(=O)NCCCC(C)O.
What is the InChIKey of 5-(propylsulfamoylamino)pentan-2-ol?
The InChIKey is OWPFCOVQJIARSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-3-6-9-14(12,13)10-7-4-5-8(2)11/h8-11H,3-7H2,1-2H3.
What are the key properties of 5-(propylsulfamoylamino)pentan-2-ol?
5-(propylsulfamoylamino)pentan-2-ol has a molecular weight of 224.33 g/mol, XLogP of -0.02, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylsulfamoylamino)pentan-2-ol is sourced from PubChem (CID 106125663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).