5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide

C12H20N2O2S3 — CID 106078542

IUPAC5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC2CCSCC2)cs1
InChIInChI=1S/C12H20N2O2S3/c1-13-8-11-6-12(9-18-11)19(15,16)14-7-10-2-4-17-5-3-10/h6,9-10,13-14H,2-5,7-8H2,1H3
InChIKeyZLGLZKYSFLYSKH-UHFFFAOYSA-N
MW320.51 g/mol
LogP1.89
Rot. Bonds6

About 5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide

5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide (PubChem CID 106078542) has the molecular formula C12H20N2O2S3 and a molecular weight of 320.51 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
PubChem CID106078542
Molecular FormulaC12H20N2O2S3
Molecular Weight320.51 g/mol
Exact Mass320.07
IUPAC Name5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC2CCSCC2)cs1
InChIInChI=1S/C12H20N2O2S3/c1-13-8-11-6-12(9-18-11)19(15,16)14-7-10-2-4-17-5-3-10/h6,9-10,13-14H,2-5,7-8H2,1H3
InChIKeyZLGLZKYSFLYSKH-UHFFFAOYSA-N
XLogP1.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106089898
5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide
CID 106089167
N-(cyclobutylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106024368
4-chloro-3-(methylaminomethyl)-N-(thian-4-ylmethyl)benzenesulfonamide
CID 106078532
N-(cyclopentylmethyl)-5-[(cyclopropylamino)methyl]thiophene-3-sulfonamide
CID 106026780
2-methyl-5-(methylaminomethyl)-N-(thian-4-ylmethyl)furan-3-sulfonamide
CID 106078516
5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 106063032
5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106018213
5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide
CID 106055603
N-(2-bicyclo[2.2.1]heptanyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106067705
5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 114141274
5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
CID 106084390

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide (CID 106078542) is 5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NCC2CCSCC2)cs1.
What is the InChIKey of 5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is ZLGLZKYSFLYSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S3/c1-13-8-11-6-12(9-18-11)19(15,16)14-7-10-2-4-17-5-3-10/h6,9-10,13-14H,2-5,7-8H2,1H3.
What are the key properties of 5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide?
5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 320.51 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106078542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).