5-(aminomethyl)-N-(oxan-4-yl)thiophene-2-sulfonamide

C10H16N2O3S2 — CID 43610440

IUPAC5-(aminomethyl)-N-(oxan-4-yl)thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NC2CCOCC2)s1
InChIInChI=1S/C10H16N2O3S2/c11-7-9-1-2-10(16-9)17(13,14)12-8-3-5-15-6-4-8/h1-2,8,12H,3-7,11H2
InChIKeyNVBRUZFRQQJOSH-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.66
Rot. Bonds4

About 5-(aminomethyl)-N-(oxan-4-yl)thiophene-2-sulfonamide

5-(aminomethyl)-N-(oxan-4-yl)thiophene-2-sulfonamide (PubChem CID 43610440) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(oxan-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(oxan-4-yl)thiophene-2-sulfonamide
PubChem CID43610440
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name5-(aminomethyl)-N-(oxan-4-yl)thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NC2CCOCC2)s1
InChIInChI=1S/C10H16N2O3S2/c11-7-9-1-2-10(16-9)17(13,14)12-8-3-5-15-6-4-8/h1-2,8,12H,3-7,11H2
InChIKeyNVBRUZFRQQJOSH-UHFFFAOYSA-N
XLogP0.66
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-(Morpholine-4-sulfonyl)thiophen-2-yl)methanamine
CID 16227260
[5-(Morpholine-4-sulfonyl)thiophen-2-yl]methanamine hydrochloride
CID 16340542
N-(thiophen-2-ylmethyl)oxolane-3-sulfonamide
CID 53592650
2-(oxolan-2-yl)-N-(1-thiophen-2-ylpropyl)ethanesulfonamide
CID 71918681
N-[(2S)-1-(5-methylthiophen-2-yl)propan-2-yl]oxane-4-sulfonamide
CID 95632925
5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
CID 55262048
5-[2-(2,2,2-Trifluoroethoxy)ethylsulfamoyl]thiophene-2-carbothioamide
CID 106271257
5-[2-(2,2-Difluoroethoxy)ethylsulfamoyl]thiophene-2-carbothioamide
CID 106272145
5-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-sulfonamide
CID 114128427
N-[1-(5-methylthiophen-2-yl)propan-2-yl]oxane-4-sulfonamide
CID 56794079
5-ethyl-N-(2-((tetrahydro-2H-pyran-4-yl)thio)ethyl)thiophene-2-sulfonamide
CID 86265268
[5-(4-Hexoxypiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 142694319

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(oxan-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(oxan-4-yl)thiophene-2-sulfonamide (CID 43610440) is 5-(aminomethyl)-N-(oxan-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(oxan-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(oxan-4-yl)thiophene-2-sulfonamide is NCc1ccc(S(=O)(=O)NC2CCOCC2)s1.
What is the InChIKey of 5-(aminomethyl)-N-(oxan-4-yl)thiophene-2-sulfonamide?
The InChIKey is NVBRUZFRQQJOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c11-7-9-1-2-10(16-9)17(13,14)12-8-3-5-15-6-4-8/h1-2,8,12H,3-7,11H2.
What are the key properties of 5-(aminomethyl)-N-(oxan-4-yl)thiophene-2-sulfonamide?
5-(aminomethyl)-N-(oxan-4-yl)thiophene-2-sulfonamide has a molecular weight of 276.38 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(oxan-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 43610440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).