2-[2-(dimethylsulfamoylamino)-1-hydroxyethyl]-1-benzothiophene

C12H16N2O3S2 — CID 71967723

IUPAC2-[2-(dimethylsulfamoylamino)-1-hydroxyethyl]-1-benzothiophene
SMILESCN(C)S(=O)(=O)NCC(O)c1cc2ccccc2s1
InChIInChI=1S/C12H16N2O3S2/c1-14(2)19(16,17)13-8-10(15)12-7-9-5-3-4-6-11(9)18-12/h3-7,10,13,15H,8H2,1-2H3
InChIKeyYSIPNJKECOBCIP-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.33
Rot. Bonds5

About 2-[2-(dimethylsulfamoylamino)-1-hydroxyethyl]-1-benzothiophene

2-[2-(dimethylsulfamoylamino)-1-hydroxyethyl]-1-benzothiophene (PubChem CID 71967723) has the molecular formula C12H16N2O3S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[2-(dimethylsulfamoylamino)-1-hydroxyethyl]-1-benzothiophene.

Molecular Properties

Compound Name2-[2-(dimethylsulfamoylamino)-1-hydroxyethyl]-1-benzothiophene
PubChem CID71967723
Molecular FormulaC12H16N2O3S2
Molecular Weight300.41 g/mol
Exact Mass300.06
IUPAC Name2-[2-(dimethylsulfamoylamino)-1-hydroxyethyl]-1-benzothiophene
SMILESCN(C)S(=O)(=O)NCC(O)c1cc2ccccc2s1
InChIInChI=1S/C12H16N2O3S2/c1-14(2)19(16,17)13-8-10(15)12-7-9-5-3-4-6-11(9)18-12/h3-7,10,13,15H,8H2,1-2H3
InChIKeyYSIPNJKECOBCIP-UHFFFAOYSA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
1-(1-benzothiophen-2-yl)-3-(dimethylamino)propan-1-ol
CID 86678604
(3R)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoic acid
CID 102424617
1-(1-benzothiophen-2-yl)-3-methylbutan-1-ol
CID 114976256
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
CID 97073876
1-(1-benzothiophen-2-yl)-2-bromoethanol
CID 130171136
ethyl (3S)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoate
CID 42631132
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1,2-oxazole-3-carboxamide
CID 97084288
N-[(1R)-1-(1-benzothiophen-2-yl)ethyl]-3-(dimethylsulfamoyl)propanamide
CID 99828468
1-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol
CID 114980831
1-(1-benzothiophen-2-yl)nonan-1-ol
CID 115784008
3-amino-N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-phenylpropanamide
CID 119788161

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylsulfamoylamino)-1-hydroxyethyl]-1-benzothiophene?
The IUPAC name of 2-[2-(dimethylsulfamoylamino)-1-hydroxyethyl]-1-benzothiophene (CID 71967723) is 2-[2-(dimethylsulfamoylamino)-1-hydroxyethyl]-1-benzothiophene.
What is the SMILES notation for 2-[2-(dimethylsulfamoylamino)-1-hydroxyethyl]-1-benzothiophene?
The canonical SMILES for 2-[2-(dimethylsulfamoylamino)-1-hydroxyethyl]-1-benzothiophene is CN(C)S(=O)(=O)NCC(O)c1cc2ccccc2s1.
What is the InChIKey of 2-[2-(dimethylsulfamoylamino)-1-hydroxyethyl]-1-benzothiophene?
The InChIKey is YSIPNJKECOBCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S2/c1-14(2)19(16,17)13-8-10(15)12-7-9-5-3-4-6-11(9)18-12/h3-7,10,13,15H,8H2,1-2H3.
What are the key properties of 2-[2-(dimethylsulfamoylamino)-1-hydroxyethyl]-1-benzothiophene?
2-[2-(dimethylsulfamoylamino)-1-hydroxyethyl]-1-benzothiophene has a molecular weight of 300.41 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylsulfamoylamino)-1-hydroxyethyl]-1-benzothiophene is sourced from PubChem (CID 71967723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).