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

C15H25N3O2S — CID 124728838

IUPAC1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
SMILESC[C@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)[C@H]1CCCO1
InChIInChI=1S/C15H25N3O2S/c1-11(14-5-4-7-20-14)17-15(19)16-9-13(18(2)3)12-6-8-21-10-12/h6,8,10-11,13-14H,4-5,7,9H2,1-3H3,(H2,16,17,19)/t11-,13+,14+/m0/s1
InChIKeyFLQKMXHWUSFHJS-IACUBPJLSA-N
MW311.45 g/mol
LogP2.22
Rot. Bonds6

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

1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea (PubChem CID 124728838) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
PubChem CID124728838
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
SMILESC[C@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)[C@H]1CCCO1
InChIInChI=1S/C15H25N3O2S/c1-11(14-5-4-7-20-14)17-15(19)16-9-13(18(2)3)12-6-8-21-10-12/h6,8,10-11,13-14H,4-5,7,9H2,1-3H3,(H2,16,17,19)/t11-,13+,14+/m0/s1
InChIKeyFLQKMXHWUSFHJS-IACUBPJLSA-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-3-ylethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea with MolForge

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Related Compounds

1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95134541
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 35235171
1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 94179516
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 32629427
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-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea
CID 100840537
1-[(2R)-2-methylsulfanylpropyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 97087333
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-[2-[cyclopentyl(methyl)amino]ethyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95762567
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
CID 119850709

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The IUPAC name of 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea (CID 124728838) is 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea.
What is the SMILES notation for 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The canonical SMILES for 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea is C[C@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)[C@H]1CCCO1.
What is the InChIKey of 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The InChIKey is FLQKMXHWUSFHJS-IACUBPJLSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11(14-5-4-7-20-14)17-15(19)16-9-13(18(2)3)12-6-8-21-10-12/h6,8,10-11,13-14H,4-5,7,9H2,1-3H3,(H2,16,17,19)/t11-,13+,14+/m0/s1.
What are the key properties of 1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea?
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1S)-1-[(2R)-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-3-ylethyl]-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea is sourced from PubChem (CID 124728838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).