N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiophene-2-sulfonamide

C10H14N2O2S2 — CID 2322147

IUPACN-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1=NCCCCC1)c1cccs1
InChIInChI=1S/C10H14N2O2S2/c13-16(14,10-6-4-8-15-10)12-9-5-2-1-3-7-11-9/h4,6,8H,1-3,5,7H2,(H,11,12)
InChIKeyNGMSBBDQDHLART-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.00
Rot. Bonds2

About N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiophene-2-sulfonamide

N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiophene-2-sulfonamide (PubChem CID 2322147) has the molecular formula C10H14N2O2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiophene-2-sulfonamide
PubChem CID2322147
Molecular FormulaC10H14N2O2S2
Molecular Weight258.37 g/mol
Exact Mass258.05
IUPAC NameN-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1=NCCCCC1)c1cccs1
InChIInChI=1S/C10H14N2O2S2/c13-16(14,10-6-4-8-15-10)12-9-5-2-1-3-7-11-9/h4,6,8H,1-3,5,7H2,(H,11,12)
InChIKeyNGMSBBDQDHLART-UHFFFAOYSA-N
XLogP2.00
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27674745
N-[(1S)-1-thiophen-2-ylethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 81408564
N-[4-(cyclohexylamino)phenyl]thiophene-2-sulfonamide
CID 112980784
N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 765837
N-[[5-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553917
N-fluorothiophene-2-sulfonamide
CID 175398216
N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 1092315
N'-hydroxythiophene-2-sulfonohydrazide
CID 67151955
N-[4-(benzenesulfonyl)thiophen-3-yl]thiophene-2-sulfonamide
CID 4988902
N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
CID 651313
1-thiophen-2-ylsulfonylpiperidine
CID 765823
thiophen-2-ylsulfonylurea;urea
CID 19065180

Frequently Asked Questions

What is the IUPAC name of N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiophene-2-sulfonamide (CID 2322147) is N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiophene-2-sulfonamide is O=S(=O)(NC1=NCCCCC1)c1cccs1.
What is the InChIKey of N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiophene-2-sulfonamide?
The InChIKey is NGMSBBDQDHLART-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S2/c13-16(14,10-6-4-8-15-10)12-9-5-2-1-3-7-11-9/h4,6,8H,1-3,5,7H2,(H,11,12).
What are the key properties of N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiophene-2-sulfonamide?
N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiophene-2-sulfonamide has a molecular weight of 258.37 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 2322147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).