N,N-dimethyl-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide

C11H17NO3S3 — CID 2820417

IUPACN,N-dimethyl-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide
SMILESCSc1sc(C(=O)N(C)C)cc1S(=O)(=O)C(C)C
InChIInChI=1S/C11H17NO3S3/c1-7(2)18(14,15)9-6-8(10(13)12(3)4)17-11(9)16-5/h6-7H,1-5H3
InChIKeyYAJCCOVNONQEBA-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.35
Rot. Bonds4

About N,N-dimethyl-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide

N,N-dimethyl-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide (PubChem CID 2820417) has the molecular formula C11H17NO3S3 and a molecular weight of 307.46 g/mol. Its IUPAC name is N,N-dimethyl-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide
PubChem CID2820417
Molecular FormulaC11H17NO3S3
Molecular Weight307.46 g/mol
Exact Mass307.04
IUPAC NameN,N-dimethyl-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide
SMILESCSc1sc(C(=O)N(C)C)cc1S(=O)(=O)C(C)C
InChIInChI=1S/C11H17NO3S3/c1-7(2)18(14,15)9-6-8(10(13)12(3)4)17-11(9)16-5/h6-7H,1-5H3
InChIKeyYAJCCOVNONQEBA-UHFFFAOYSA-N
XLogP2.35
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide (CID 2820417) is N,N-dimethyl-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide is CSc1sc(C(=O)N(C)C)cc1S(=O)(=O)C(C)C.
What is the InChIKey of N,N-dimethyl-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide?
The InChIKey is YAJCCOVNONQEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S3/c1-7(2)18(14,15)9-6-8(10(13)12(3)4)17-11(9)16-5/h6-7H,1-5H3.
What are the key properties of N,N-dimethyl-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide?
N,N-dimethyl-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 2820417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).