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

C15H25N3O2S — CID 95134541

IUPAC1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
SMILESC[C@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)[C@@H]1CCCO1
InChIInChI=1S/C15H25N3O2S/c1-11(13-6-4-8-20-13)17-15(19)16-10-12(18(2)3)14-7-5-9-21-14/h5,7,9,11-13H,4,6,8,10H2,1-3H3,(H2,16,17,19)/t11-,12-,13-/m0/s1
InChIKeyVSSOBIJGPGEGEH-AVGNSLFASA-N
MW311.45 g/mol
LogP2.22
Rot. Bonds6

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

1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea (PubChem CID 95134541) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
PubChem CID95134541
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
SMILESC[C@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)[C@@H]1CCCO1
InChIInChI=1S/C15H25N3O2S/c1-11(13-6-4-8-20-13)17-15(19)16-10-12(18(2)3)14-7-5-9-21-14/h5,7,9,11-13H,4,6,8,10H2,1-3H3,(H2,16,17,19)/t11-,12-,13-/m0/s1
InChIKeyVSSOBIJGPGEGEH-AVGNSLFASA-N
XLogP2.22
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea
CID 100840537
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 124728838
1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 30834300
(3R)-3-acetamido-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-thiophen-2-ylpropanamide
CID 124839099
1-[2-[cyclopentyl(methyl)amino]ethyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95762567
1-[(2R)-2-methylsulfanylpropyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 97087333
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylsulfanylacetamide
CID 35262137
1-[(1R)-1-(oxan-4-yl)ethyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea
CID 97087338
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
2-cyclohexyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 46522897
N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide
CID 30834974
(2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-2-carboxamide;dihydrochloride
CID 119830031

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea?
The IUPAC name of 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea (CID 95134541) is 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea.
What is the SMILES notation for 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea?
The canonical SMILES for 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea is C[C@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)[C@@H]1CCCO1.
What is the InChIKey of 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea?
The InChIKey is VSSOBIJGPGEGEH-AVGNSLFASA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11(13-6-4-8-20-13)17-15(19)16-10-12(18(2)3)14-7-5-9-21-14/h5,7,9,11-13H,4,6,8,10H2,1-3H3,(H2,16,17,19)/t11-,12-,13-/m0/s1.
What are the key properties of 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea?
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea has a molecular weight of 311.45 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea is sourced from PubChem (CID 95134541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).