N-methylazocane-1-sulfonamide

C8H18N2O2S — CID 130686123

IUPACN-methylazocane-1-sulfonamide
SMILESCNS(=O)(=O)N1CCCCCCC1
InChIInChI=1S/C8H18N2O2S/c1-9-13(11,12)10-7-5-3-2-4-6-8-10/h9H,2-8H2,1H3
InChIKeyPXPBLEKEJYXPSF-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.72
Rot. Bonds2

About N-methylazocane-1-sulfonamide

N-methylazocane-1-sulfonamide (PubChem CID 130686123) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-methylazocane-1-sulfonamide.

Molecular Properties

Compound NameN-methylazocane-1-sulfonamide
PubChem CID130686123
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC NameN-methylazocane-1-sulfonamide
SMILESCNS(=O)(=O)N1CCCCCCC1
InChIInChI=1S/C8H18N2O2S/c1-9-13(11,12)10-7-5-3-2-4-6-8-10/h9H,2-8H2,1H3
InChIKeyPXPBLEKEJYXPSF-UHFFFAOYSA-N
XLogP0.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methylazepane-1-sulfonamide
CID 28784575
N-(methylaminomethyl)piperidine-1-sulfonamide
CID 117126231
N-methylpiperazine-1-sulfonamide;hydrochloride
CID 86812477
N-ethylazepane-1-sulfonamide
CID 43213421
N-but-3-yn-2-ylazepane-1-sulfonamide
CID 114419133
N-[4-(methylamino)cyclohexyl]piperidine-1-sulfonamide
CID 43653532
N-piperidin-1-ylsulfonylacetamide
CID 59405916
N-(2-cyanopropan-2-yl)azepane-1-sulfonamide
CID 61125739
N-[2-(methylamino)ethyl]pyrrolidine-1-sulfonamide
CID 62657611
methyl (3S)-1-(methylsulfamoyl)piperidine-3-carboxylate
CID 104978218
N-[2-(ethylamino)ethyl]azepane-1-sulfonamide
CID 62665481
N,2,6-trimethylmorpholine-4-sulfonamide
CID 43242358

Frequently Asked Questions

What is the IUPAC name of N-methylazocane-1-sulfonamide?
The IUPAC name of N-methylazocane-1-sulfonamide (CID 130686123) is N-methylazocane-1-sulfonamide.
What is the SMILES notation for N-methylazocane-1-sulfonamide?
The canonical SMILES for N-methylazocane-1-sulfonamide is CNS(=O)(=O)N1CCCCCCC1.
What is the InChIKey of N-methylazocane-1-sulfonamide?
The InChIKey is PXPBLEKEJYXPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-9-13(11,12)10-7-5-3-2-4-6-8-10/h9H,2-8H2,1H3.
What are the key properties of N-methylazocane-1-sulfonamide?
N-methylazocane-1-sulfonamide has a molecular weight of 206.31 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylazocane-1-sulfonamide is sourced from PubChem (CID 130686123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).