N-hydroxy-5-methyl-2-(phenylsulfanylmethyl)hexanamide

C14H21NO2S — CID 154245759

IUPACN-hydroxy-5-methyl-2-(phenylsulfanylmethyl)hexanamide
SMILESCC(C)CCC(CSc1ccccc1)C(=O)NO
InChIInChI=1S/C14H21NO2S/c1-11(2)8-9-12(14(16)15-17)10-18-13-6-4-3-5-7-13/h3-7,11-12,17H,8-10H2,1-2H3,(H,15,16)
InChIKeyMLISKCCKSQTNJS-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.34
Rot. Bonds7

About N-hydroxy-5-methyl-2-(phenylsulfanylmethyl)hexanamide

N-hydroxy-5-methyl-2-(phenylsulfanylmethyl)hexanamide (PubChem CID 154245759) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-hydroxy-5-methyl-2-(phenylsulfanylmethyl)hexanamide.

Molecular Properties

Compound NameN-hydroxy-5-methyl-2-(phenylsulfanylmethyl)hexanamide
PubChem CID154245759
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-hydroxy-5-methyl-2-(phenylsulfanylmethyl)hexanamide
SMILESCC(C)CCC(CSc1ccccc1)C(=O)NO
InChIInChI=1S/C14H21NO2S/c1-11(2)8-9-12(14(16)15-17)10-18-13-6-4-3-5-7-13/h3-7,11-12,17H,8-10H2,1-2H3,(H,15,16)
InChIKeyMLISKCCKSQTNJS-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Benzenesulfinyl-heptanoic acid hydroxyamide
CID 9816867
3-Benzenesulfonyl-heptanoic acid hydroxyamide
CID 9838786
6-Benzenesulfonylhexanoic acid hydroxamide
CID 11572583
Hexanamide, N-hydroxy-6-(phenylthio)-
CID 11637291
6-Benzenesulfinylhexanoic acid hydroxamide
CID 11694528
3-Benzenesulfonyl-hexanoic acid hydroxyamide
CID 10492338
(3R)-3-(benzenesulfonyl)-N-hydroxyheptanamide
CID 10493383
(3S)-3-(benzenesulfonyl)-N-hydroxyheptanamide
CID 10613145
3-Benzenesulfonyl-octanoic acid hydroxyamide
CID 10756583
Acetohydroxamic acid, 2-(p-butylthio)phenyl-
CID 16946
3-Benzenesulfonyl-pentanoic acid hydroxyamide
CID 10753630
Acetohydroxamic acid, (p-pentylthio)phenyl-
CID 44980

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-methyl-2-(phenylsulfanylmethyl)hexanamide?
The IUPAC name of N-hydroxy-5-methyl-2-(phenylsulfanylmethyl)hexanamide (CID 154245759) is N-hydroxy-5-methyl-2-(phenylsulfanylmethyl)hexanamide.
What is the SMILES notation for N-hydroxy-5-methyl-2-(phenylsulfanylmethyl)hexanamide?
The canonical SMILES for N-hydroxy-5-methyl-2-(phenylsulfanylmethyl)hexanamide is CC(C)CCC(CSc1ccccc1)C(=O)NO.
What is the InChIKey of N-hydroxy-5-methyl-2-(phenylsulfanylmethyl)hexanamide?
The InChIKey is MLISKCCKSQTNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11(2)8-9-12(14(16)15-17)10-18-13-6-4-3-5-7-13/h3-7,11-12,17H,8-10H2,1-2H3,(H,15,16).
What are the key properties of N-hydroxy-5-methyl-2-(phenylsulfanylmethyl)hexanamide?
N-hydroxy-5-methyl-2-(phenylsulfanylmethyl)hexanamide has a molecular weight of 267.39 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-methyl-2-(phenylsulfanylmethyl)hexanamide is sourced from PubChem (CID 154245759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).