[1-(2-aminoethyl)imidazol-4-yl]-(3-methylsulfonylthiomorpholin-4-yl)methanone

C11H18N4O3S2 — CID 107499127

IUPAC[1-(2-aminoethyl)imidazol-4-yl]-(3-methylsulfonylthiomorpholin-4-yl)methanone
SMILESCS(=O)(=O)C1CSCCN1C(=O)c1cn(CCN)cn1
InChIInChI=1S/C11H18N4O3S2/c1-20(17,18)10-7-19-5-4-15(10)11(16)9-6-14(3-2-12)8-13-9/h6,8,10H,2-5,7,12H2,1H3
InChIKeyMPKSYECJEBSITD-UHFFFAOYSA-N
MW318.42 g/mol
LogP-0.60
Rot. Bonds4

About [1-(2-aminoethyl)imidazol-4-yl]-(3-methylsulfonylthiomorpholin-4-yl)methanone

[1-(2-aminoethyl)imidazol-4-yl]-(3-methylsulfonylthiomorpholin-4-yl)methanone (PubChem CID 107499127) has the molecular formula C11H18N4O3S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is [1-(2-aminoethyl)imidazol-4-yl]-(3-methylsulfonylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-(2-aminoethyl)imidazol-4-yl]-(3-methylsulfonylthiomorpholin-4-yl)methanone
PubChem CID107499127
Molecular FormulaC11H18N4O3S2
Molecular Weight318.42 g/mol
Exact Mass318.08
IUPAC Name[1-(2-aminoethyl)imidazol-4-yl]-(3-methylsulfonylthiomorpholin-4-yl)methanone
SMILESCS(=O)(=O)C1CSCCN1C(=O)c1cn(CCN)cn1
InChIInChI=1S/C11H18N4O3S2/c1-20(17,18)10-7-19-5-4-15(10)11(16)9-6-14(3-2-12)8-13-9/h6,8,10H,2-5,7,12H2,1H3
InChIKeyMPKSYECJEBSITD-UHFFFAOYSA-N
XLogP-0.60
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 134788850
CID 134788850
CID 134790345
CID 134790345
N-[2-(ethylsulfonyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 74239478
1-(1H-imidazol-5-ylcarbonyl)-4-[2-(methylthio)ethyl]piperazine
CID 118768489
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-propan-2-ylimidazole-4-carboxamide
CID 164635965
1-(2-aminoethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]imidazole-4-carboxamide
CID 106428267
2-(4-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-1-piperazinyl)-N-isopropylacetamide
CID 28666213
7-[2-(Allylthio)propanoyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide
CID 56701479
(3,5-Dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 20703295
3-methyl-N-(2-sulfanylethyl)imidazole-4-carboxamide
CID 57313539
4-(1-Methylimidazole-4-carbonyl)piperazine-1-carboxamide
CID 68553577
(1-Methylimidazol-4-yl)-piperazin-1-ylmethanone
CID 82505252

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-(3-methylsulfonylthiomorpholin-4-yl)methanone?
The IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-(3-methylsulfonylthiomorpholin-4-yl)methanone (CID 107499127) is [1-(2-aminoethyl)imidazol-4-yl]-(3-methylsulfonylthiomorpholin-4-yl)methanone.
What is the SMILES notation for [1-(2-aminoethyl)imidazol-4-yl]-(3-methylsulfonylthiomorpholin-4-yl)methanone?
The canonical SMILES for [1-(2-aminoethyl)imidazol-4-yl]-(3-methylsulfonylthiomorpholin-4-yl)methanone is CS(=O)(=O)C1CSCCN1C(=O)c1cn(CCN)cn1.
What is the InChIKey of [1-(2-aminoethyl)imidazol-4-yl]-(3-methylsulfonylthiomorpholin-4-yl)methanone?
The InChIKey is MPKSYECJEBSITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S2/c1-20(17,18)10-7-19-5-4-15(10)11(16)9-6-14(3-2-12)8-13-9/h6,8,10H,2-5,7,12H2,1H3.
What are the key properties of [1-(2-aminoethyl)imidazol-4-yl]-(3-methylsulfonylthiomorpholin-4-yl)methanone?
[1-(2-aminoethyl)imidazol-4-yl]-(3-methylsulfonylthiomorpholin-4-yl)methanone has a molecular weight of 318.42 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)imidazol-4-yl]-(3-methylsulfonylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 107499127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).