N-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide

C11H18N2O3S — CID 106170160

IUPACN-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide
SMILESCCC(C)(CCO)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C11H18N2O3S/c1-3-11(2,6-8-14)13-17(15,16)10-5-4-7-12-9-10/h4-5,7,9,13-14H,3,6,8H2,1-2H3
InChIKeyDXXWXCXKEKZWPN-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.91
Rot. Bonds6

About N-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide

N-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide (PubChem CID 106170160) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide
PubChem CID106170160
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide
SMILESCCC(C)(CCO)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C11H18N2O3S/c1-3-11(2,6-8-14)13-17(15,16)10-5-4-7-12-9-10/h4-5,7,9,13-14H,3,6,8H2,1-2H3
InChIKeyDXXWXCXKEKZWPN-UHFFFAOYSA-N
XLogP0.91
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-3-methylpentan-3-yl)pyridine-3-sulfonamide
CID 114152612
3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169573
3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169954
N-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 106173679
methyl 2-methyl-2-(pyridin-3-ylsulfonylamino)pentanoate
CID 43624461
N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 106169794
N-(2-cyanopropan-2-yl)pyridine-3-sulfonamide
CID 61128072
N-(3-amino-2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 115365958
N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456
N-propylpyridine-3-sulfonamide
CID 43258995
N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide
CID 103835036
3-chloro-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169609

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide (CID 106170160) is N-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide is CCC(C)(CCO)NS(=O)(=O)c1cccnc1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide?
The InChIKey is DXXWXCXKEKZWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-3-11(2,6-8-14)13-17(15,16)10-5-4-7-12-9-10/h4-5,7,9,13-14H,3,6,8H2,1-2H3.
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide?
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 106170160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).