2,5-dimethyl-3-[1-(sulfamoylamino)ethyl]thiophene

C8H14N2O2S2 — CID 112684505

IUPAC2,5-dimethyl-3-[1-(sulfamoylamino)ethyl]thiophene
SMILESCc1cc(C(C)NS(N)(=O)=O)c(C)s1
InChIInChI=1S/C8H14N2O2S2/c1-5-4-8(7(3)13-5)6(2)10-14(9,11)12/h4,6,10H,1-3H3,(H2,9,11,12)
InChIKeyJVFXYTBSVACHKM-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.22
Rot. Bonds3

About 2,5-dimethyl-3-[1-(sulfamoylamino)ethyl]thiophene

2,5-dimethyl-3-[1-(sulfamoylamino)ethyl]thiophene (PubChem CID 112684505) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2,5-dimethyl-3-[1-(sulfamoylamino)ethyl]thiophene.

Molecular Properties

Compound Name2,5-dimethyl-3-[1-(sulfamoylamino)ethyl]thiophene
PubChem CID112684505
Molecular FormulaC8H14N2O2S2
Molecular Weight234.35 g/mol
Exact Mass234.05
IUPAC Name2,5-dimethyl-3-[1-(sulfamoylamino)ethyl]thiophene
SMILESCc1cc(C(C)NS(N)(=O)=O)c(C)s1
InChIInChI=1S/C8H14N2O2S2/c1-5-4-8(7(3)13-5)6(2)10-14(9,11)12/h4,6,10H,1-3H3,(H2,9,11,12)
InChIKeyJVFXYTBSVACHKM-UHFFFAOYSA-N
XLogP1.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxybenzenesulfonamide
CID 81241717
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)ethanesulfonamide
CID 54973764
3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylbenzenesulfonamide
CID 60933451
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
CID 43200633
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
4-[1-(2,5-dimethylthiophen-3-yl)ethylsulfamoyl]butanoic acid
CID 43697794
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62158246
2-amino-5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-sulfonamide
CID 62158602
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-methylbenzenesulfonamide
CID 43742464
(2S)-2-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylbutanamide
CID 61154263
(2S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methanesulfonamido)-3,3-dimethylbutanamide
CID 124592558
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097419

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[1-(sulfamoylamino)ethyl]thiophene?
The IUPAC name of 2,5-dimethyl-3-[1-(sulfamoylamino)ethyl]thiophene (CID 112684505) is 2,5-dimethyl-3-[1-(sulfamoylamino)ethyl]thiophene.
What is the SMILES notation for 2,5-dimethyl-3-[1-(sulfamoylamino)ethyl]thiophene?
The canonical SMILES for 2,5-dimethyl-3-[1-(sulfamoylamino)ethyl]thiophene is Cc1cc(C(C)NS(N)(=O)=O)c(C)s1.
What is the InChIKey of 2,5-dimethyl-3-[1-(sulfamoylamino)ethyl]thiophene?
The InChIKey is JVFXYTBSVACHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S2/c1-5-4-8(7(3)13-5)6(2)10-14(9,11)12/h4,6,10H,1-3H3,(H2,9,11,12).
What are the key properties of 2,5-dimethyl-3-[1-(sulfamoylamino)ethyl]thiophene?
2,5-dimethyl-3-[1-(sulfamoylamino)ethyl]thiophene has a molecular weight of 234.35 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[1-(sulfamoylamino)ethyl]thiophene is sourced from PubChem (CID 112684505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).