N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide

C12H20N2O3S2 — CID 82744478

IUPACN-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)N(C)C2CCOC2C)c1
InChIInChI=1S/C12H20N2O3S2/c1-9-11(4-5-17-9)14(3)19(15,16)12-6-10(7-13-2)8-18-12/h6,8-9,11,13H,4-5,7H2,1-3H3
InChIKeyKBQNNHHNSUBMQL-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.27
Rot. Bonds5

About N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide

N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide (PubChem CID 82744478) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
PubChem CID82744478
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC NameN-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)N(C)C2CCOC2C)c1
InChIInChI=1S/C12H20N2O3S2/c1-9-11(4-5-17-9)14(3)19(15,16)12-6-10(7-13-2)8-18-12/h6,8-9,11,13H,4-5,7H2,1-3H3
InChIKeyKBQNNHHNSUBMQL-UHFFFAOYSA-N
XLogP1.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82748477
2-fluoro-N-methyl-5-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82749260
N-[2,6-difluoro-4-(methylaminomethyl)phenyl]-N,2-dimethyloxolan-3-amine
CID 82742641
5-(chloromethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
CID 82745504
N,5-dimethyl-3-(methylaminomethyl)-N-(2-methyloxolan-3-yl)-1H-pyrazole-4-sulfonamide
CID 82746159
N,2-dimethyl-N-[4-(methylaminomethyl)phenyl]oxolan-3-amine
CID 82742719
2-(ethylaminomethyl)-N,4-dimethyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
CID 102754636
4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 106063055
4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82729543
5-(2-hydroxyethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
CID 82745833
4-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 82744724
N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 114109930

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide (CID 82744478) is N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide is CNCc1csc(S(=O)(=O)N(C)C2CCOC2C)c1.
What is the InChIKey of N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide?
The InChIKey is KBQNNHHNSUBMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-9-11(4-5-17-9)14(3)19(15,16)12-6-10(7-13-2)8-18-12/h6,8-9,11,13H,4-5,7H2,1-3H3.
What are the key properties of N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide?
N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 82744478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).