N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropane-1-sulfonamide

C10H23NO3S — CID 103836501

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCC(C)(C)CCO
InChIInChI=1S/C10H23NO3S/c1-9(2)7-15(13,14)11-8-10(3,4)5-6-12/h9,11-12H,5-8H2,1-4H3
InChIKeyFPQGJIZRHKTJMA-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.97
Rot. Bonds7

About N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropane-1-sulfonamide

N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropane-1-sulfonamide (PubChem CID 103836501) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropane-1-sulfonamide
PubChem CID103836501
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCC(C)(C)CCO
InChIInChI=1S/C10H23NO3S/c1-9(2)7-15(13,14)11-8-10(3,4)5-6-12/h9,11-12H,5-8H2,1-4H3
InChIKeyFPQGJIZRHKTJMA-UHFFFAOYSA-N
XLogP0.97
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2,2-dimethylpentyl)-2-methylpropane-1-sulfonamide
CID 106146169
3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol
CID 115876647
N-(4-hydroxy-2,2-dimethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 103824958
4-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-1-ol
CID 106143688
N-(4-hydroxy-2,2-dimethylbutyl)piperazine-1-sulfonamide
CID 106148888
N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113347924
N-(4-bromo-2,2-dimethylbutyl)-2-phenylpropane-1-sulfonamide
CID 106145736
1-(4-hydroxy-2,2-dimethylbutyl)-3-(3-methylbutyl)urea
CID 111503761
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methylbutanoic acid
CID 106149098
N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-3-sulfonamide
CID 106143797
2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide
CID 113318751
3-amino-4-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzenesulfonamide
CID 106139850

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropane-1-sulfonamide (CID 103836501) is N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)NCC(C)(C)CCO.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropane-1-sulfonamide?
The InChIKey is FPQGJIZRHKTJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-9(2)7-15(13,14)11-8-10(3,4)5-6-12/h9,11-12H,5-8H2,1-4H3.
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropane-1-sulfonamide?
N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropane-1-sulfonamide has a molecular weight of 237.36 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 103836501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).