N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide

C11H13N3O2S3 — CID 2820471

IUPACN,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide
SMILESCSc1nccc(-c2ccc(S(=O)(=O)N(C)C)s2)n1
InChIInChI=1S/C11H13N3O2S3/c1-14(2)19(15,16)10-5-4-9(18-10)8-6-7-12-11(13-8)17-3/h4-7H,1-3H3
InChIKeyUPNSHBGBKJXZDH-UHFFFAOYSA-N
MW315.45 g/mol
LogP2.18
Rot. Bonds4

About N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide

N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide (PubChem CID 2820471) has the molecular formula C11H13N3O2S3 and a molecular weight of 315.45 g/mol. Its IUPAC name is N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide
PubChem CID2820471
Molecular FormulaC11H13N3O2S3
Molecular Weight315.45 g/mol
Exact Mass315.02
IUPAC NameN,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide
SMILESCSc1nccc(-c2ccc(S(=O)(=O)N(C)C)s2)n1
InChIInChI=1S/C11H13N3O2S3/c1-14(2)19(15,16)10-5-4-9(18-10)8-6-7-12-11(13-8)17-3/h4-7H,1-3H3
InChIKeyUPNSHBGBKJXZDH-UHFFFAOYSA-N
XLogP2.18
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide?
The IUPAC name of N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide (CID 2820471) is N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide is CSc1nccc(-c2ccc(S(=O)(=O)N(C)C)s2)n1.
What is the InChIKey of N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide?
The InChIKey is UPNSHBGBKJXZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S3/c1-14(2)19(15,16)10-5-4-9(18-10)8-6-7-12-11(13-8)17-3/h4-7H,1-3H3.
What are the key properties of N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide?
N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide has a molecular weight of 315.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 2820471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).