N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)thiophene-3-sulfonamide

C12H22N2O3S2 — CID 103192204

IUPACN-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)thiophene-3-sulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1csc(CO)c1
InChIInChI=1S/C12H22N2O3S2/c1-5-14(10(2)7-13(3)4)19(16,17)12-6-11(8-15)18-9-12/h6,9-10,15H,5,7-8H2,1-4H3
InChIKeyKMKNJPWLBZINQJ-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.20
Rot. Bonds7

About N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)thiophene-3-sulfonamide

N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)thiophene-3-sulfonamide (PubChem CID 103192204) has the molecular formula C12H22N2O3S2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)thiophene-3-sulfonamide
PubChem CID103192204
Molecular FormulaC12H22N2O3S2
Molecular Weight306.45 g/mol
Exact Mass306.11
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)thiophene-3-sulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1csc(CO)c1
InChIInChI=1S/C12H22N2O3S2/c1-5-14(10(2)7-13(3)4)19(16,17)12-6-11(8-15)18-9-12/h6,9-10,15H,5,7-8H2,1-4H3
InChIKeyKMKNJPWLBZINQJ-UHFFFAOYSA-N
XLogP1.20
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide
CID 112666972
2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)furan-3-sulfonamide
CID 103192203
4-acetyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103189656
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide
CID 103187456
N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106014187
4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-fluorobenzenesulfonamide
CID 103270437
3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 106546875
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(3-hydroxypropyl)pyrazole-4-sulfonamide
CID 103192242
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103190536
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 103192336
6-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide
CID 103188942
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 103192356

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)thiophene-3-sulfonamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)thiophene-3-sulfonamide (CID 103192204) is N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)thiophene-3-sulfonamide is CCN(C(C)CN(C)C)S(=O)(=O)c1csc(CO)c1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)thiophene-3-sulfonamide?
The InChIKey is KMKNJPWLBZINQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S2/c1-5-14(10(2)7-13(3)4)19(16,17)12-6-11(8-15)18-9-12/h6,9-10,15H,5,7-8H2,1-4H3.
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)thiophene-3-sulfonamide?
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)thiophene-3-sulfonamide has a molecular weight of 306.45 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 103192204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).