3-[ethyl(methyl)amino]-N-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethyl]pyrrolidine-1-carboxamide

C15H26N4O3S2 — CID 155956811

IUPAC3-[ethyl(methyl)amino]-N-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethyl]pyrrolidine-1-carboxamide
SMILESCCN(C)C1CCN(C(=O)NCCN(C)S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C15H26N4O3S2/c1-4-17(2)13-7-9-19(12-13)15(20)16-8-10-18(3)24(21,22)14-6-5-11-23-14/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,16,20)
InChIKeyBWVOSOFCUAANMV-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.10
Rot. Bonds7

About 3-[ethyl(methyl)amino]-N-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethyl]pyrrolidine-1-carboxamide

3-[ethyl(methyl)amino]-N-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethyl]pyrrolidine-1-carboxamide (PubChem CID 155956811) has the molecular formula C15H26N4O3S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 3-[ethyl(methyl)amino]-N-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[ethyl(methyl)amino]-N-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethyl]pyrrolidine-1-carboxamide
PubChem CID155956811
Molecular FormulaC15H26N4O3S2
Molecular Weight374.53 g/mol
Exact Mass374.14
IUPAC Name3-[ethyl(methyl)amino]-N-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethyl]pyrrolidine-1-carboxamide
SMILESCCN(C)C1CCN(C(=O)NCCN(C)S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C15H26N4O3S2/c1-4-17(2)13-7-9-19(12-13)15(20)16-8-10-18(3)24(21,22)14-6-5-11-23-14/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,16,20)
InChIKeyBWVOSOFCUAANMV-UHFFFAOYSA-N
XLogP1.10
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122007238
4-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122007237
N'-methyl-N-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109379198
N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 63105109
N-ethyl-N-methylthiophene-2-sulfonamide;hydrochloride
CID 130616398
N-butyl-N-methylthiophene-2-sulfonamide
CID 4992196
tert-butyl 3-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]pyrrolidine-1-carboxylate
CID 71647811
tert-butyl (3R)-3-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97167683
N-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]thiophene-2-sulfonamide;hydroiodide
CID 120971740
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 55483623
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide
CID 18108266
1,3-diethyl-2-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethyl]guanidine;hydroiodide
CID 86780372

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(methyl)amino]-N-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-[ethyl(methyl)amino]-N-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethyl]pyrrolidine-1-carboxamide (CID 155956811) is 3-[ethyl(methyl)amino]-N-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[ethyl(methyl)amino]-N-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[ethyl(methyl)amino]-N-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethyl]pyrrolidine-1-carboxamide is CCN(C)C1CCN(C(=O)NCCN(C)S(=O)(=O)c2cccs2)C1.
What is the InChIKey of 3-[ethyl(methyl)amino]-N-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethyl]pyrrolidine-1-carboxamide?
The InChIKey is BWVOSOFCUAANMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S2/c1-4-17(2)13-7-9-19(12-13)15(20)16-8-10-18(3)24(21,22)14-6-5-11-23-14/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,16,20).
What are the key properties of 3-[ethyl(methyl)amino]-N-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethyl]pyrrolidine-1-carboxamide?
3-[ethyl(methyl)amino]-N-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethyl]pyrrolidine-1-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methyl)amino]-N-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 155956811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).