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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Related Compounds

N2-cyclopropylmethyl-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxamide
CID 2820416
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylthiophene-2-carboxamide
CID 4964210
N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-carboxamide
CID 18573629
(4-Ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 770531
N-Methoxy-N-methyl-2-thiophenecarboxamide
CID 3613942
N-methyl-N-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)-2-thiophenecarboxamide
CID 2952541
2-Thiophenecarboxamide, N,N-dimethyl-
CID 141583
N,N-dimethyl-4-(thiophene-2-carbonyl)piperazine-1-sulfonamide
CID 976572
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-isobutylthiophene-2-carboxamide
CID 16268822
4-{[2-(Dimethylamino)ethyl][(thiophen-2-YL)methyl]sulfamoyl}thiophene-2-carboxamide
CID 20937290
4-{Butyl[(thiophen-2-YL)methyl]sulfamoyl}thiophene-2-carboxamide
CID 20937359
(4-Propylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 652970

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).