N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thiophene-2-sulfonamide

C10H14N4O2S3 — CID 133387661

IUPACN-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESCc1nnc(NCCN(C)S(=O)(=O)c2cccs2)s1
InChIInChI=1S/C10H14N4O2S3/c1-8-12-13-10(18-8)11-5-6-14(2)19(15,16)9-4-3-7-17-9/h3-4,7H,5-6H2,1-2H3,(H,11,13)
InChIKeyNIMKKZDDTICHRO-UHFFFAOYSA-N
MW318.45 g/mol
LogP1.64
Rot. Bonds6

About N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thiophene-2-sulfonamide

N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thiophene-2-sulfonamide (PubChem CID 133387661) has the molecular formula C10H14N4O2S3 and a molecular weight of 318.45 g/mol. Its IUPAC name is N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thiophene-2-sulfonamide
PubChem CID133387661
Molecular FormulaC10H14N4O2S3
Molecular Weight318.45 g/mol
Exact Mass318.03
IUPAC NameN-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESCc1nnc(NCCN(C)S(=O)(=O)c2cccs2)s1
InChIInChI=1S/C10H14N4O2S3/c1-8-12-13-10(18-8)11-5-6-14(2)19(15,16)9-4-3-7-17-9/h3-4,7H,5-6H2,1-2H3,(H,11,13)
InChIKeyNIMKKZDDTICHRO-UHFFFAOYSA-N
XLogP1.64
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-sulfonamide
CID 133387653
N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
CID 133387741
N-methyl-N-[2-[[3-[(3-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]thiophene-2-sulfonamide
CID 66878303
N-[2-[[3-[(4-fluoro-3-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]-N-methylthiophene-2-sulfonamide
CID 66878799
N-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]thiophene-2-sulfonamide;hydroiodide
CID 120971740
N-methyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133387693
N-butyl-N-methylthiophene-2-sulfonamide
CID 4992196
N-[2-[(1-chloroisoquinolin-3-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
CID 133387627
N-[2-(2-chloro-6-cyanoanilino)ethyl]-N-methylthiophene-2-sulfonamide
CID 133387707
N-methyl-N-[2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]thiophene-2-sulfonamide
CID 133387573
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 47454541
N-methyl-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 137265087

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thiophene-2-sulfonamide (CID 133387661) is N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thiophene-2-sulfonamide is Cc1nnc(NCCN(C)S(=O)(=O)c2cccs2)s1.
What is the InChIKey of N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thiophene-2-sulfonamide?
The InChIKey is NIMKKZDDTICHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S3/c1-8-12-13-10(18-8)11-5-6-14(2)19(15,16)9-4-3-7-17-9/h3-4,7H,5-6H2,1-2H3,(H,11,13).
What are the key properties of N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thiophene-2-sulfonamide?
N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thiophene-2-sulfonamide has a molecular weight of 318.45 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 133387661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).