7-sulfanylheptane-1-sulfonamide

C7H17NO2S2 — CID 10353110

IUPAC7-sulfanylheptane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCCCS
InChIInChI=1S/C7H17NO2S2/c8-12(9,10)7-5-3-1-2-4-6-11/h11H,1-7H2,(H2,8,9,10)
InChIKeyAKDXFXXJEMTSPC-UHFFFAOYSA-N
MW211.35 g/mol
LogP1.16
Rot. Bonds7

About 7-sulfanylheptane-1-sulfonamide

7-sulfanylheptane-1-sulfonamide (PubChem CID 10353110) has the molecular formula C7H17NO2S2 and a molecular weight of 211.35 g/mol. Its IUPAC name is 7-sulfanylheptane-1-sulfonamide.

Molecular Properties

Compound Name7-sulfanylheptane-1-sulfonamide
PubChem CID10353110
Molecular FormulaC7H17NO2S2
Molecular Weight211.35 g/mol
Exact Mass211.07
IUPAC Name7-sulfanylheptane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCCCS
InChIInChI=1S/C7H17NO2S2/c8-12(9,10)7-5-3-1-2-4-6-11/h11H,1-7H2,(H2,8,9,10)
InChIKeyAKDXFXXJEMTSPC-UHFFFAOYSA-N
XLogP1.16
TPSA60.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-sulfanylpropane-1-sulfonamide
CID 86156590
dodecane-1,12-disulfonamide
CID 57288842
propane-1,3-disulfonamide
CID 22153832
pentacosane-1-sulfonamide
CID 149252389
4-hydroxybutane-1-sulfonamide
CID 21436386
4-chlorobutane-1-sulfonamide
CID 18461
potassium 4-sulfanylbutane-1-sulfonate
CID 129019529
tetracosane-1,24-dithiol
CID 87293915
5-cyclopropylpentane-1-sulfonamide
CID 67223678
4-trimethylsilylbutane-1-sulfonamide
CID 174901247
CID 175918224
CID 175918224
butane-1-sulfonamide;dihydrochloride
CID 140980497

Frequently Asked Questions

What is the IUPAC name of 7-sulfanylheptane-1-sulfonamide?
The IUPAC name of 7-sulfanylheptane-1-sulfonamide (CID 10353110) is 7-sulfanylheptane-1-sulfonamide.
What is the SMILES notation for 7-sulfanylheptane-1-sulfonamide?
The canonical SMILES for 7-sulfanylheptane-1-sulfonamide is NS(=O)(=O)CCCCCCCS.
What is the InChIKey of 7-sulfanylheptane-1-sulfonamide?
The InChIKey is AKDXFXXJEMTSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S2/c8-12(9,10)7-5-3-1-2-4-6-11/h11H,1-7H2,(H2,8,9,10).
What are the key properties of 7-sulfanylheptane-1-sulfonamide?
7-sulfanylheptane-1-sulfonamide has a molecular weight of 211.35 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-sulfanylheptane-1-sulfonamide is sourced from PubChem (CID 10353110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).