1-[(1R)-1-(furan-2-yl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea

C16H25N3O3S — CID 94028637

IUPAC1-[(1R)-1-(furan-2-yl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
SMILESC[C@@H](NC(=O)NC[C@]1(N2CCOCC2)CCSC1)c1ccco1
InChIInChI=1S/C16H25N3O3S/c1-13(14-3-2-7-22-14)18-15(20)17-11-16(4-10-23-12-16)19-5-8-21-9-6-19/h2-3,7,13H,4-6,8-12H2,1H3,(H2,17,18,20)/t13-,16-/m1/s1
InChIKeyNAXLEXHFZNNJGW-CZUORRHYSA-N
MW339.46 g/mol
LogP1.85
Rot. Bonds5

About 1-[(1R)-1-(furan-2-yl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea

1-[(1R)-1-(furan-2-yl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea (PubChem CID 94028637) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-[(1R)-1-(furan-2-yl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(furan-2-yl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
PubChem CID94028637
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-[(1R)-1-(furan-2-yl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
SMILESC[C@@H](NC(=O)NC[C@]1(N2CCOCC2)CCSC1)c1ccco1
InChIInChI=1S/C16H25N3O3S/c1-13(14-3-2-7-22-14)18-15(20)17-11-16(4-10-23-12-16)19-5-8-21-9-6-19/h2-3,7,13H,4-6,8-12H2,1H3,(H2,17,18,20)/t13-,16-/m1/s1
InChIKeyNAXLEXHFZNNJGW-CZUORRHYSA-N
XLogP1.85
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1R)-1-(furan-2-yl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea with MolForge

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Related Compounds

1-[(2S)-1-hydroxybutan-2-yl]-3-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
CID 95139939
1-[(3R)-hex-5-en-3-yl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
CID 129433459
1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 55696476
2-methyl-1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110947889
1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 42960503
3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride
CID 119862806
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]guanidine
CID 111355498
2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 94667443
2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 124727496
2-(2-butan-2-ylphenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
CID 55658478
2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 39156035
2-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119862768

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(furan-2-yl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea?
The IUPAC name of 1-[(1R)-1-(furan-2-yl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea (CID 94028637) is 1-[(1R)-1-(furan-2-yl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea.
What is the SMILES notation for 1-[(1R)-1-(furan-2-yl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea?
The canonical SMILES for 1-[(1R)-1-(furan-2-yl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea is C[C@@H](NC(=O)NC[C@]1(N2CCOCC2)CCSC1)c1ccco1.
What is the InChIKey of 1-[(1R)-1-(furan-2-yl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea?
The InChIKey is NAXLEXHFZNNJGW-CZUORRHYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-13(14-3-2-7-22-14)18-15(20)17-11-16(4-10-23-12-16)19-5-8-21-9-6-19/h2-3,7,13H,4-6,8-12H2,1H3,(H2,17,18,20)/t13-,16-/m1/s1.
What are the key properties of 1-[(1R)-1-(furan-2-yl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea?
1-[(1R)-1-(furan-2-yl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea has a molecular weight of 339.46 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(furan-2-yl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea is sourced from PubChem (CID 94028637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).