1-[(2R,4S)-2-cyclopropyloxan-4-yl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea

C16H28N2O2S — CID 129445949

IUPAC1-[(2R,4S)-2-cyclopropyloxan-4-yl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea
SMILESCCS[C@@H]1CC[C@H](NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)C1
InChIInChI=1S/C16H28N2O2S/c1-2-21-14-6-5-12(9-14)17-16(19)18-13-7-8-20-15(10-13)11-3-4-11/h11-15H,2-10H2,1H3,(H2,17,18,19)/t12-,13-,14+,15+/m0/s1
InChIKeyGLKORGBKYOZXPG-BYNSBNAKSA-N
MW312.48 g/mol
LogP2.92
Rot. Bonds5

About 1-[(2R,4S)-2-cyclopropyloxan-4-yl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea

1-[(2R,4S)-2-cyclopropyloxan-4-yl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea (PubChem CID 129445949) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-[(2R,4S)-2-cyclopropyloxan-4-yl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea.

Molecular Properties

Compound Name1-[(2R,4S)-2-cyclopropyloxan-4-yl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea
PubChem CID129445949
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name1-[(2R,4S)-2-cyclopropyloxan-4-yl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea
SMILESCCS[C@@H]1CC[C@H](NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)C1
InChIInChI=1S/C16H28N2O2S/c1-2-21-14-6-5-12(9-14)17-16(19)18-13-7-8-20-15(10-13)11-3-4-11/h11-15H,2-10H2,1H3,(H2,17,18,19)/t12-,13-,14+,15+/m0/s1
InChIKeyGLKORGBKYOZXPG-BYNSBNAKSA-N
XLogP2.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2R,4S)-2-cyclopropyloxan-4-yl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea with MolForge

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Related Compounds

1-(2-cyclopropyloxan-4-yl)-3-(3-ethylsulfanylcyclopentyl)urea
CID 86793360
1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129424092
1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129424091
1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129424093
1-(2-bromoprop-2-enyl)-3-[(2R,4S)-2-cyclopropyloxan-4-yl]urea
CID 99578632
2-amino-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 103797921
2-[(3-ethylsulfanylcyclopentyl)carbamoylamino]-3-methylbutanoic acid
CID 113364179
N-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide
CID 103713860
1-ethyl-3-(3-ethylsulfanylcyclopentyl)-1-methylurea
CID 103715144
2-[(3-ethylsulfanylcyclopentyl)carbamoylamino]-4-hydroxybutanoic acid
CID 114124148
1-(3-ethylsulfanylcyclopentyl)-3-[(1-methoxycyclobutyl)methyl]urea
CID 86785504
2-cyano-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 103713466

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-2-cyclopropyloxan-4-yl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea?
The IUPAC name of 1-[(2R,4S)-2-cyclopropyloxan-4-yl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea (CID 129445949) is 1-[(2R,4S)-2-cyclopropyloxan-4-yl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea.
What is the SMILES notation for 1-[(2R,4S)-2-cyclopropyloxan-4-yl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea?
The canonical SMILES for 1-[(2R,4S)-2-cyclopropyloxan-4-yl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea is CCS[C@@H]1CC[C@H](NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)C1.
What is the InChIKey of 1-[(2R,4S)-2-cyclopropyloxan-4-yl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea?
The InChIKey is GLKORGBKYOZXPG-BYNSBNAKSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-2-21-14-6-5-12(9-14)17-16(19)18-13-7-8-20-15(10-13)11-3-4-11/h11-15H,2-10H2,1H3,(H2,17,18,19)/t12-,13-,14+,15+/m0/s1.
What are the key properties of 1-[(2R,4S)-2-cyclopropyloxan-4-yl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea?
1-[(2R,4S)-2-cyclopropyloxan-4-yl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea has a molecular weight of 312.48 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S)-2-cyclopropyloxan-4-yl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea is sourced from PubChem (CID 129445949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).