N-(3-ethyl-2-hydroxypentyl)-3-methylbutane-1-sulfonamide

C12H27NO3S — CID 113317358

IUPACN-(3-ethyl-2-hydroxypentyl)-3-methylbutane-1-sulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)CCC(C)C
InChIInChI=1S/C12H27NO3S/c1-5-11(6-2)12(14)9-13-17(15,16)8-7-10(3)4/h10-14H,5-9H2,1-4H3
InChIKeyFHCYOBACDAPBJV-UHFFFAOYSA-N
MW265.42 g/mol
LogP1.75
Rot. Bonds9

About N-(3-ethyl-2-hydroxypentyl)-3-methylbutane-1-sulfonamide

N-(3-ethyl-2-hydroxypentyl)-3-methylbutane-1-sulfonamide (PubChem CID 113317358) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-3-methylbutane-1-sulfonamide
PubChem CID113317358
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-3-methylbutane-1-sulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)CCC(C)C
InChIInChI=1S/C12H27NO3S/c1-5-11(6-2)12(14)9-13-17(15,16)8-7-10(3)4/h10-14H,5-9H2,1-4H3
InChIKeyFHCYOBACDAPBJV-UHFFFAOYSA-N
XLogP1.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylbutyl)-3-methylbutane-1-sulfonamide
CID 115613306
3-ethyl-1-(2-methylpropylsulfamoylamino)pentan-2-ol
CID 106288332
3-chloro-N-(3-ethyl-2-hydroxypentyl)-2-methylpropane-1-sulfonamide
CID 106288577
N-[(2R,3R)-2-hydroxy-3-methylpentyl]propane-1-sulfonamide
CID 95633247
N-(2,2-dimethoxyethyl)-3-methylbutane-1-sulfonamide
CID 63856064
N-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide
CID 107271294
3-ethyl-1-(propylsulfamoylamino)pentan-2-ol
CID 106288196
N-butan-2-yl-3-methylbutane-1-sulfonamide
CID 63373512
propan-2-yl N-[(3-ethyl-2-hydroxypentyl)sulfamoyl]carbamate
CID 106288291
N-(2-bromo-4,4-dimethylpentyl)-3-methylbutane-1-sulfonamide
CID 107158135
N-(4-bromopentyl)-3-methylbutane-1-sulfonamide
CID 106135738
4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide
CID 106284209

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-3-methylbutane-1-sulfonamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-3-methylbutane-1-sulfonamide (CID 113317358) is N-(3-ethyl-2-hydroxypentyl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-3-methylbutane-1-sulfonamide is CCC(CC)C(O)CNS(=O)(=O)CCC(C)C.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-3-methylbutane-1-sulfonamide?
The InChIKey is FHCYOBACDAPBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-5-11(6-2)12(14)9-13-17(15,16)8-7-10(3)4/h10-14H,5-9H2,1-4H3.
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-3-methylbutane-1-sulfonamide?
N-(3-ethyl-2-hydroxypentyl)-3-methylbutane-1-sulfonamide has a molecular weight of 265.42 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 113317358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).