2-N-(2-aminoethyl)-1-N-ethyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide

C14H23N5O4S2 — CID 23884181

IUPAC2-N-(2-aminoethyl)-1-N-ethyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide
SMILESCCNC(=O)N1CCCN(S(=O)(=O)c2cccs2)C1C(=O)NCCN
InChIInChI=1S/C14H23N5O4S2/c1-2-16-14(21)18-8-4-9-19(13(18)12(20)17-7-6-15)25(22,23)11-5-3-10-24-11/h3,5,10,13H,2,4,6-9,15H2,1H3,(H,16,21)(H,17,20)
InChIKeyAKCRNUTYIZYWGR-UHFFFAOYSA-N
MW389.50 g/mol
LogP-0.43
Rot. Bonds6

About 2-N-(2-aminoethyl)-1-N-ethyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide

2-N-(2-aminoethyl)-1-N-ethyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide (PubChem CID 23884181) has the molecular formula C14H23N5O4S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)-1-N-ethyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-aminoethyl)-1-N-ethyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide
PubChem CID23884181
Molecular FormulaC14H23N5O4S2
Molecular Weight389.50 g/mol
Exact Mass389.12
IUPAC Name2-N-(2-aminoethyl)-1-N-ethyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide
SMILESCCNC(=O)N1CCCN(S(=O)(=O)c2cccs2)C1C(=O)NCCN
InChIInChI=1S/C14H23N5O4S2/c1-2-16-14(21)18-8-4-9-19(13(18)12(20)17-7-6-15)25(22,23)11-5-3-10-24-11/h3,5,10,13H,2,4,6-9,15H2,1H3,(H,16,21)(H,17,20)
InChIKeyAKCRNUTYIZYWGR-UHFFFAOYSA-N
XLogP-0.43
TPSA124.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2-aminoethyl)-1-N-(3-chlorophenyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide
CID 23847776
N-(2-aminoethyl)-1-(2,4-dichlorobenzoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide
CID 23935618
phenyl 2-(2-aminoethylcarbamoyl)-3-thiophen-2-ylsulfonylimidazolidine-1-carboxylate
CID 23829360
N-(3-aminopropyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119405132
(2S)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799718
(2R)-N-(2-acetamidoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 94799719
3-(3-methylphenyl)-3-[[1-[(4-propan-2-ylphenyl)carbamoyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carbonyl]amino]propanoic acid
CID 23798693
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 71684075
N-(2-aminoethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 119382527
(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331
N-(2-pyrrolidin-3-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 119533743
(2S)-N-[(2R)-2-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 95273287

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminoethyl)-1-N-ethyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide?
The IUPAC name of 2-N-(2-aminoethyl)-1-N-ethyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide (CID 23884181) is 2-N-(2-aminoethyl)-1-N-ethyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(2-aminoethyl)-1-N-ethyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(2-aminoethyl)-1-N-ethyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide is CCNC(=O)N1CCCN(S(=O)(=O)c2cccs2)C1C(=O)NCCN.
What is the InChIKey of 2-N-(2-aminoethyl)-1-N-ethyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide?
The InChIKey is AKCRNUTYIZYWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O4S2/c1-2-16-14(21)18-8-4-9-19(13(18)12(20)17-7-6-15)25(22,23)11-5-3-10-24-11/h3,5,10,13H,2,4,6-9,15H2,1H3,(H,16,21)(H,17,20).
What are the key properties of 2-N-(2-aminoethyl)-1-N-ethyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide?
2-N-(2-aminoethyl)-1-N-ethyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide has a molecular weight of 389.50 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminoethyl)-1-N-ethyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide is sourced from PubChem (CID 23884181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).