2-methylidene-N-sulfonylhexanamide

C7H11NO3S — CID 88843016

IUPAC2-methylidene-N-sulfonylhexanamide
SMILESC=C(CCCC)C(=O)N=S(=O)=O
InChIInChI=1S/C7H11NO3S/c1-3-4-5-6(2)7(9)8-12(10)11/h2-5H2,1H3
InChIKeyXRHDYDACGFZNDB-UHFFFAOYSA-N
MW189.24 g/mol
LogP1.32
Rot. Bonds4

About 2-methylidene-N-sulfonylhexanamide

2-methylidene-N-sulfonylhexanamide (PubChem CID 88843016) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 2-methylidene-N-sulfonylhexanamide.

Molecular Properties

Compound Name2-methylidene-N-sulfonylhexanamide
PubChem CID88843016
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name2-methylidene-N-sulfonylhexanamide
SMILESC=C(CCCC)C(=O)N=S(=O)=O
InChIInChI=1S/C7H11NO3S/c1-3-4-5-6(2)7(9)8-12(10)11/h2-5H2,1H3
InChIKeyXRHDYDACGFZNDB-UHFFFAOYSA-N
XLogP1.32
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,2,3,4,5,6-hexamethylidenedecanamide
CID 139561856
3,4-dimethylideneoctan-2-one
CID 143941758
2-methylidenehexanoic acid;zinc
CID 174824467
2-methylidenehexanoylazanide;terbium
CID 175783049
ethane;2-methylidenehexanoic acid
CID 162072915
zinc bis(2-methylidenehexanoate)
CID 122669315
lead(2+);bis(2-methylidenehexanoate)
CID 88789371
1-oxopentane-1-sulfinic acid
CID 166746832
N'-ethyl-2-methylidenehexanehydrazide
CID 87503884
2-methylidenebutanoic acid;2-methylidenehexanoic acid
CID 87730844
3-methylideneoctan-4-one
CID 11815902
2-methyl-3,4-dimethylideneoctane
CID 134835282

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-sulfonylhexanamide?
The IUPAC name of 2-methylidene-N-sulfonylhexanamide (CID 88843016) is 2-methylidene-N-sulfonylhexanamide.
What is the SMILES notation for 2-methylidene-N-sulfonylhexanamide?
The canonical SMILES for 2-methylidene-N-sulfonylhexanamide is C=C(CCCC)C(=O)N=S(=O)=O.
What is the InChIKey of 2-methylidene-N-sulfonylhexanamide?
The InChIKey is XRHDYDACGFZNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-3-4-5-6(2)7(9)8-12(10)11/h2-5H2,1H3.
What are the key properties of 2-methylidene-N-sulfonylhexanamide?
2-methylidene-N-sulfonylhexanamide has a molecular weight of 189.24 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-sulfonylhexanamide is sourced from PubChem (CID 88843016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).