1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[[(3S)-oxolan-3-yl]methyl]urea

C14H23N3O2S — CID 94179516

IUPAC1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
SMILESCN(C)[C@@H](CNC(=O)NC[C@@H]1CCOC1)c1ccsc1
InChIInChI=1S/C14H23N3O2S/c1-17(2)13(12-4-6-20-10-12)8-16-14(18)15-7-11-3-5-19-9-11/h4,6,10-11,13H,3,5,7-9H2,1-2H3,(H2,15,16,18)/t11-,13-/m0/s1
InChIKeyKEZMEKOIGLFQEA-AAEUAGOBSA-N
MW297.42 g/mol
LogP1.69
Rot. Bonds6

About 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[[(3S)-oxolan-3-yl]methyl]urea

1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[[(3S)-oxolan-3-yl]methyl]urea (PubChem CID 94179516) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[[(3S)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
PubChem CID94179516
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
SMILESCN(C)[C@@H](CNC(=O)NC[C@@H]1CCOC1)c1ccsc1
InChIInChI=1S/C14H23N3O2S/c1-17(2)13(12-4-6-20-10-12)8-16-14(18)15-7-11-3-5-19-9-11/h4,6,10-11,13H,3,5,7-9H2,1-2H3,(H2,15,16,18)/t11-,13-/m0/s1
InChIKeyKEZMEKOIGLFQEA-AAEUAGOBSA-N
XLogP1.69
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[[(3S)-oxolan-3-yl]methyl]urea with MolForge

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 95161216
1-(1-acetylpiperidin-4-yl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 95161217
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]urea
CID 129432203
1-[(4-cyclopropyl-2-methylphenyl)methyl]-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 166367972
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(4-fluorophenyl)methyl]urea
CID 30606373
1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 134307029
1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 47024260
N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide
CID 16932111
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 16931095
1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(pyridin-2-ylmethyl)urea
CID 94027034
1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 51092805

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[[(3S)-oxolan-3-yl]methyl]urea?
The IUPAC name of 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[[(3S)-oxolan-3-yl]methyl]urea (CID 94179516) is 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[[(3S)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[[(3S)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[[(3S)-oxolan-3-yl]methyl]urea is CN(C)[C@@H](CNC(=O)NC[C@@H]1CCOC1)c1ccsc1.
What is the InChIKey of 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[[(3S)-oxolan-3-yl]methyl]urea?
The InChIKey is KEZMEKOIGLFQEA-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-17(2)13(12-4-6-20-10-12)8-16-14(18)15-7-11-3-5-19-9-11/h4,6,10-11,13H,3,5,7-9H2,1-2H3,(H2,15,16,18)/t11-,13-/m0/s1.
What are the key properties of 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[[(3S)-oxolan-3-yl]methyl]urea?
1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[[(3S)-oxolan-3-yl]methyl]urea has a molecular weight of 297.42 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[[(3S)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 94179516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).