ethane;N-hydroxy-7-methylsulfonylheptanamide

C10H23NO4S — CID 143645971

IUPACethane;N-hydroxy-7-methylsulfonylheptanamide
SMILESCC.CS(=O)(=O)CCCCCCC(=O)NO
InChIInChI=1S/C8H17NO4S.C2H6/c1-14(12,13)7-5-3-2-4-6-8(10)9-11;1-2/h11H,2-7H2,1H3,(H,9,10);1-2H3
InChIKeyZCWISLWRMKHYSA-UHFFFAOYSA-N
MW253.36 g/mol
LogP1.51
Rot. Bonds7

About ethane;N-hydroxy-7-methylsulfonylheptanamide

ethane;N-hydroxy-7-methylsulfonylheptanamide (PubChem CID 143645971) has the molecular formula C10H23NO4S and a molecular weight of 253.36 g/mol. Its IUPAC name is ethane;N-hydroxy-7-methylsulfonylheptanamide.

Molecular Properties

Compound Nameethane;N-hydroxy-7-methylsulfonylheptanamide
PubChem CID143645971
Molecular FormulaC10H23NO4S
Molecular Weight253.36 g/mol
Exact Mass253.13
IUPAC Nameethane;N-hydroxy-7-methylsulfonylheptanamide
SMILESCC.CS(=O)(=O)CCCCCCC(=O)NO
InChIInChI=1S/C8H17NO4S.C2H6/c1-14(12,13)7-5-3-2-4-6-8(10)9-11;1-2/h11H,2-7H2,1H3,(H,9,10);1-2H3
InChIKeyZCWISLWRMKHYSA-UHFFFAOYSA-N
XLogP1.51
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclohexanesulfonyl-heptanoic acid hydroxyamide
CID 10565532
3-(Hexane-1-sulfonyl)-heptanoic acid hydroxyamide
CID 10565673
N-hydroxy-7-methylsulfonylsulfanylheptanamide
CID 42642255
N-hydroxy-8-methylsulfonylsulfanyloctanamide
CID 162660234
9-(Methylsulfinyl)nonamide
CID 121232647
Sulfopelargonamide
CID 129728573
Rorifamide
CID 154173
1-Amino-1-oxododecane-2-sulfonic acid
CID 20287317
8-Methylsulfonyloctanamide
CID 20378024
18-Methylsulfonyloctadecanamide
CID 20378025
1-Amino-1-oxotetradecane-2-sulfonic acid
CID 21276016
7-Methylsulfonylheptanamide
CID 54502500

Frequently Asked Questions

What is the IUPAC name of ethane;N-hydroxy-7-methylsulfonylheptanamide?
The IUPAC name of ethane;N-hydroxy-7-methylsulfonylheptanamide (CID 143645971) is ethane;N-hydroxy-7-methylsulfonylheptanamide.
What is the SMILES notation for ethane;N-hydroxy-7-methylsulfonylheptanamide?
The canonical SMILES for ethane;N-hydroxy-7-methylsulfonylheptanamide is CC.CS(=O)(=O)CCCCCCC(=O)NO.
What is the InChIKey of ethane;N-hydroxy-7-methylsulfonylheptanamide?
The InChIKey is ZCWISLWRMKHYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S.C2H6/c1-14(12,13)7-5-3-2-4-6-8(10)9-11;1-2/h11H,2-7H2,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;N-hydroxy-7-methylsulfonylheptanamide?
ethane;N-hydroxy-7-methylsulfonylheptanamide has a molecular weight of 253.36 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-hydroxy-7-methylsulfonylheptanamide is sourced from PubChem (CID 143645971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).