N-(2-hydroxy-3-methylpentyl)-2-methylbutane-1-sulfonamide

C11H25NO3S — CID 111440038

IUPACN-(2-hydroxy-3-methylpentyl)-2-methylbutane-1-sulfonamide
SMILESCCC(C)CS(=O)(=O)NCC(O)C(C)CC
InChIInChI=1S/C11H25NO3S/c1-5-9(3)8-16(14,15)12-7-11(13)10(4)6-2/h9-13H,5-8H2,1-4H3
InChIKeyDEYQNKKYQTZOKF-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.36
Rot. Bonds8

About N-(2-hydroxy-3-methylpentyl)-2-methylbutane-1-sulfonamide

N-(2-hydroxy-3-methylpentyl)-2-methylbutane-1-sulfonamide (PubChem CID 111440038) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylpentyl)-2-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylpentyl)-2-methylbutane-1-sulfonamide
PubChem CID111440038
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC NameN-(2-hydroxy-3-methylpentyl)-2-methylbutane-1-sulfonamide
SMILESCCC(C)CS(=O)(=O)NCC(O)C(C)CC
InChIInChI=1S/C11H25NO3S/c1-5-9(3)8-16(14,15)12-7-11(13)10(4)6-2/h9-13H,5-8H2,1-4H3
InChIKeyDEYQNKKYQTZOKF-UHFFFAOYSA-N
XLogP1.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,3R)-2-hydroxy-3-methylpentyl]propane-1-sulfonamide
CID 95633247
3-chloro-N-(3-ethyl-2-hydroxypentyl)-2-methylpropane-1-sulfonamide
CID 106288577
(2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide
CID 97025412
N-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide
CID 111439961
2-methyl-N-methylsulfonylbutane-1-sulfonamide
CID 158232370
N-(2-methylbutyl)ethanesulfonamide
CID 64584156
N-[(1-hydroxycyclobutyl)methyl]-2-methylbutane-1-sulfonamide
CID 111439936
N-(3-ethyl-2-hydroxypentyl)-3-methylbutane-1-sulfonamide
CID 113317358
2-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride
CID 119968659
(2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide
CID 97227824
2-methyl-1-(2-methylbutylsulfonyl)butane
CID 57266964
5-methylheptane-3,4-diol
CID 21486220

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylpentyl)-2-methylbutane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-3-methylpentyl)-2-methylbutane-1-sulfonamide (CID 111440038) is N-(2-hydroxy-3-methylpentyl)-2-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-methylpentyl)-2-methylbutane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-3-methylpentyl)-2-methylbutane-1-sulfonamide is CCC(C)CS(=O)(=O)NCC(O)C(C)CC.
What is the InChIKey of N-(2-hydroxy-3-methylpentyl)-2-methylbutane-1-sulfonamide?
The InChIKey is DEYQNKKYQTZOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-5-9(3)8-16(14,15)12-7-11(13)10(4)6-2/h9-13H,5-8H2,1-4H3.
What are the key properties of N-(2-hydroxy-3-methylpentyl)-2-methylbutane-1-sulfonamide?
N-(2-hydroxy-3-methylpentyl)-2-methylbutane-1-sulfonamide has a molecular weight of 251.39 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylpentyl)-2-methylbutane-1-sulfonamide is sourced from PubChem (CID 111440038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).