2-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide

C12H21NO4S2 — CID 102750178

IUPAC2-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)N(C)CCOC(C)C
InChIInChI=1S/C12H21NO4S2/c1-9(2)17-6-5-13(4)19(15,16)12-10(3)8-18-11(12)7-14/h8-9,14H,5-7H2,1-4H3
InChIKeyNISFJPSOOCFNHD-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.59
Rot. Bonds7

About 2-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide

2-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide (PubChem CID 102750178) has the molecular formula C12H21NO4S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
PubChem CID102750178
Molecular FormulaC12H21NO4S2
Molecular Weight307.44 g/mol
Exact Mass307.09
IUPAC Name2-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)N(C)CCOC(C)C
InChIInChI=1S/C12H21NO4S2/c1-9(2)17-6-5-13(4)19(15,16)12-10(3)8-18-11(12)7-14/h8-9,14H,5-7H2,1-4H3
InChIKeyNISFJPSOOCFNHD-UHFFFAOYSA-N
XLogP1.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(hydroxymethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102749725
N-ethyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102749894
2-(hydroxymethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102749903
2-(hydroxymethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102749904
2-(hydroxymethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide
CID 102750108
N-(2,2-difluoroethyl)-2-(hydroxymethyl)-N,4-dimethylthiophene-3-sulfonamide
CID 102750250
2-(hydroxymethyl)-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiophene-3-sulfonamide
CID 105983633
N-[2-(2,2-difluoroethoxy)ethyl]-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 106001546
[5-(2,5-Dimethylmorpholin-4-yl)sulfonyl-3-methylthiophen-2-yl]methanol
CID 65728951
[5-(2,2-Dimethylmorpholin-4-yl)sulfonyl-3-methylthiophen-2-yl]methanol
CID 65729580
[5-(2-Ethylmorpholin-4-yl)sulfonyl-3-methylthiophen-2-yl]methanol
CID 65729729
[4-(2,5-Dimethylmorpholin-4-yl)sulfonylthiophen-2-yl]methanol
CID 65730501

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide (CID 102750178) is 2-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide is Cc1csc(CO)c1S(=O)(=O)N(C)CCOC(C)C.
What is the InChIKey of 2-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide?
The InChIKey is NISFJPSOOCFNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4S2/c1-9(2)17-6-5-13(4)19(15,16)12-10(3)8-18-11(12)7-14/h8-9,14H,5-7H2,1-4H3.
What are the key properties of 2-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide?
2-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide has a molecular weight of 307.44 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102750178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).