3-(dimethylsulfamoyl)-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]thiophene-2-carboxamide

C14H23N3O4S2 — CID 164640969

IUPAC3-(dimethylsulfamoyl)-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESCOCCN1CC[C@H](NC(=O)c2sccc2S(=O)(=O)N(C)C)C1
InChIInChI=1S/C14H23N3O4S2/c1-16(2)23(19,20)12-5-9-22-13(12)14(18)15-11-4-6-17(10-11)7-8-21-3/h5,9,11H,4,6-8,10H2,1-3H3,(H,15,18)/t11-/m0/s1
InChIKeyIVBRPOMMMACMOB-NSHDSACASA-N
MW361.49 g/mol
LogP0.45
Rot. Bonds7

About 3-(dimethylsulfamoyl)-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]thiophene-2-carboxamide

3-(dimethylsulfamoyl)-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 164640969) has the molecular formula C14H23N3O4S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
PubChem CID164640969
Molecular FormulaC14H23N3O4S2
Molecular Weight361.49 g/mol
Exact Mass361.11
IUPAC Name3-(dimethylsulfamoyl)-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESCOCCN1CC[C@H](NC(=O)c2sccc2S(=O)(=O)N(C)C)C1
InChIInChI=1S/C14H23N3O4S2/c1-16(2)23(19,20)12-5-9-22-13(12)14(18)15-11-4-6-17(10-11)7-8-21-3/h5,9,11H,4,6-8,10H2,1-3H3,(H,15,18)/t11-/m0/s1
InChIKeyIVBRPOMMMACMOB-NSHDSACASA-N
XLogP0.45
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dimethylsulfamoyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)thiophene-2-carboxamide
CID 139009934
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea
CID 97060514
N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-(methylsulfamoyl)thiophene-2-carboxamide
CID 136512530
2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide
CID 119623007
3-(dimethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119392093
3-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-1-methyl-1-(4-nitrophenyl)urea
CID 97061504
methyl 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylate
CID 18148503
2-hydroxy-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methylbenzamide
CID 95616399
2-chloro-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-nitrobenzamide
CID 95623046
3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120556997
methyl 3-[[2-[3-(methylamino)pyrrolidin-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 115300730
methyl 3-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 3742759

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]thiophene-2-carboxamide (CID 164640969) is 3-(dimethylsulfamoyl)-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]thiophene-2-carboxamide is COCCN1CC[C@H](NC(=O)c2sccc2S(=O)(=O)N(C)C)C1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The InChIKey is IVBRPOMMMACMOB-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N3O4S2/c1-16(2)23(19,20)12-5-9-22-13(12)14(18)15-11-4-6-17(10-11)7-8-21-3/h5,9,11H,4,6-8,10H2,1-3H3,(H,15,18)/t11-/m0/s1.
What are the key properties of 3-(dimethylsulfamoyl)-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]thiophene-2-carboxamide?
3-(dimethylsulfamoyl)-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 164640969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).