1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea

C16H30N2O2S — CID 129424093

IUPAC1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
SMILESCCS[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCO[C@H]2C(C)C)C1
InChIInChI=1S/C16H30N2O2S/c1-4-21-14-6-5-13(9-14)18-16(19)17-10-12-7-8-20-15(12)11(2)3/h11-15H,4-10H2,1-3H3,(H2,17,18,19)/t12-,13-,14+,15-/m0/s1
InChIKeySKYVATVIXRAFBJ-XQLPTFJDSA-N
MW314.50 g/mol
LogP3.02
Rot. Bonds6

About 1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea

1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea (PubChem CID 129424093) has the molecular formula C16H30N2O2S and a molecular weight of 314.50 g/mol. Its IUPAC name is 1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
PubChem CID129424093
Molecular FormulaC16H30N2O2S
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC Name1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
SMILESCCS[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCO[C@H]2C(C)C)C1
InChIInChI=1S/C16H30N2O2S/c1-4-21-14-6-5-13(9-14)18-16(19)17-10-12-7-8-20-15(12)11(2)3/h11-15H,4-10H2,1-3H3,(H2,17,18,19)/t12-,13-,14+,15-/m0/s1
InChIKeySKYVATVIXRAFBJ-XQLPTFJDSA-N
XLogP3.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea with MolForge

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Related Compounds

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)-cyclohex-3-en-1-yl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129331428
1-cyclohex-3-en-1-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129000272
1-(2-cyclopropyloxan-4-yl)-3-(3-ethylsulfanylcyclopentyl)urea
CID 86793360
1-[(2R,4S)-2-cyclopropyloxan-4-yl]-3-[(1S,3R)-3-ethylsulfanylcyclopentyl]urea
CID 129445949
1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128997473
2-amino-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 103797921
2-[(3-ethylsulfanylcyclopentyl)carbamoylamino]-3-methylbutanoic acid
CID 113364179
1-(3-ethylsulfanylcyclopentyl)-3-[(1-methoxycyclobutyl)methyl]urea
CID 86785504
1-(2-cyclopropylethyl)-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97079352
1-(1-cyclopropylpropan-2-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129006442

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea?
The IUPAC name of 1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea (CID 129424093) is 1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea?
The canonical SMILES for 1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea is CCS[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCO[C@H]2C(C)C)C1.
What is the InChIKey of 1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea?
The InChIKey is SKYVATVIXRAFBJ-XQLPTFJDSA-N. The full InChI is InChI=1S/C16H30N2O2S/c1-4-21-14-6-5-13(9-14)18-16(19)17-10-12-7-8-20-15(12)11(2)3/h11-15H,4-10H2,1-3H3,(H2,17,18,19)/t12-,13-,14+,15-/m0/s1.
What are the key properties of 1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea?
1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea has a molecular weight of 314.50 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea is sourced from PubChem (CID 129424093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).