1-[(5-chlorothiophen-2-yl)methyl]-3-[(4R)-8-oxaspiro[4.5]decan-4-yl]urea

C15H21ClN2O2S — CID 124855187

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-3-[(4R)-8-oxaspiro[4.5]decan-4-yl]urea
SMILESO=C(NCc1ccc(Cl)s1)N[C@@H]1CCCC12CCOCC2
InChIInChI=1S/C15H21ClN2O2S/c16-13-4-3-11(21-13)10-17-14(19)18-12-2-1-5-15(12)6-8-20-9-7-15/h3-4,12H,1-2,5-10H2,(H2,17,18,19)/t12-/m1/s1
InChIKeyYSOYKTHMTKYZGT-GFCCVEGCSA-N
MW328.87 g/mol
LogP3.55
Rot. Bonds3

About 1-[(5-chlorothiophen-2-yl)methyl]-3-[(4R)-8-oxaspiro[4.5]decan-4-yl]urea

1-[(5-chlorothiophen-2-yl)methyl]-3-[(4R)-8-oxaspiro[4.5]decan-4-yl]urea (PubChem CID 124855187) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.87 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-3-[(4R)-8-oxaspiro[4.5]decan-4-yl]urea.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-3-[(4R)-8-oxaspiro[4.5]decan-4-yl]urea
PubChem CID124855187
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.87 g/mol
Exact Mass328.10
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-3-[(4R)-8-oxaspiro[4.5]decan-4-yl]urea
SMILESO=C(NCc1ccc(Cl)s1)N[C@@H]1CCCC12CCOCC2
InChIInChI=1S/C15H21ClN2O2S/c16-13-4-3-11(21-13)10-17-14(19)18-12-2-1-5-15(12)6-8-20-9-7-15/h3-4,12H,1-2,5-10H2,(H2,17,18,19)/t12-/m1/s1
InChIKeyYSOYKTHMTKYZGT-GFCCVEGCSA-N
XLogP3.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(5-chlorothiophen-2-yl)methyl]-3-[(4R)-8-oxaspiro[4.5]decan-4-yl]urea with MolForge

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Related Compounds

2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763712
1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea
CID 115758267
1-(7-oxaspiro[3.5]nonan-3-yl)-3-(thiophen-2-ylmethyl)urea
CID 122276524
1-[(4R)-8-oxaspiro[4.5]decan-4-yl]-3-(3-phenylpropyl)urea
CID 124874916
N-[(5-chlorothiophen-2-yl)methyl]-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 77033295
1-[(4-methoxyphenyl)methyl]-3-(7-oxaspiro[3.5]nonan-3-yl)urea
CID 122276518
1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 29051217
1-[[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea
CID 124873751
2-[1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid
CID 64701883
2-(1-aminocyclopentyl)-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 64676702
1-[(3-chloro-2-hydroxyphenyl)methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea
CID 138010435
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79039019

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-[(4R)-8-oxaspiro[4.5]decan-4-yl]urea?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-[(4R)-8-oxaspiro[4.5]decan-4-yl]urea (CID 124855187) is 1-[(5-chlorothiophen-2-yl)methyl]-3-[(4R)-8-oxaspiro[4.5]decan-4-yl]urea.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-3-[(4R)-8-oxaspiro[4.5]decan-4-yl]urea?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-3-[(4R)-8-oxaspiro[4.5]decan-4-yl]urea is O=C(NCc1ccc(Cl)s1)N[C@@H]1CCCC12CCOCC2.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-3-[(4R)-8-oxaspiro[4.5]decan-4-yl]urea?
The InChIKey is YSOYKTHMTKYZGT-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c16-13-4-3-11(21-13)10-17-14(19)18-12-2-1-5-15(12)6-8-20-9-7-15/h3-4,12H,1-2,5-10H2,(H2,17,18,19)/t12-/m1/s1.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-3-[(4R)-8-oxaspiro[4.5]decan-4-yl]urea?
1-[(5-chlorothiophen-2-yl)methyl]-3-[(4R)-8-oxaspiro[4.5]decan-4-yl]urea has a molecular weight of 328.87 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-3-[(4R)-8-oxaspiro[4.5]decan-4-yl]urea is sourced from PubChem (CID 124855187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).