1-[(2-methylfuran-3-yl)methyl]-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea

C15H22N2O3S — CID 97234923

IUPAC1-[(2-methylfuran-3-yl)methyl]-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
SMILESCc1occc1CNC(=O)N[C@H]1CCO[C@]2(CCSC2)C1
InChIInChI=1S/C15H22N2O3S/c1-11-12(2-5-19-11)9-16-14(18)17-13-3-6-20-15(8-13)4-7-21-10-15/h2,5,13H,3-4,6-10H2,1H3,(H2,16,17,18)/t13-,15+/m0/s1
InChIKeyCPIAZONRZIZBNC-DZGCQCFKSA-N
MW310.42 g/mol
LogP2.44
Rot. Bonds3

About 1-[(2-methylfuran-3-yl)methyl]-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea

1-[(2-methylfuran-3-yl)methyl]-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea (PubChem CID 97234923) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[(2-methylfuran-3-yl)methyl]-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea.

Molecular Properties

Compound Name1-[(2-methylfuran-3-yl)methyl]-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
PubChem CID97234923
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-[(2-methylfuran-3-yl)methyl]-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
SMILESCc1occc1CNC(=O)N[C@H]1CCO[C@]2(CCSC2)C1
InChIInChI=1S/C15H22N2O3S/c1-11-12(2-5-19-11)9-16-14(18)17-13-3-6-20-15(8-13)4-7-21-10-15/h2,5,13H,3-4,6-10H2,1H3,(H2,16,17,18)/t13-,15+/m0/s1
InChIKeyCPIAZONRZIZBNC-DZGCQCFKSA-N
XLogP2.44
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-methylthiophen-2-yl)methyl]-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)urea
CID 75384049
1-cyclooctyl-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 97234883
1-cycloheptyl-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 97235483
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(5S,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 97234911
1-[(5R,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-3-[(1S)-1-phenylethyl]urea
CID 98793521
1-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)urea
CID 102560051
1-[(5R,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-3-(1-phenylcyclobutyl)urea
CID 97235550
1-(2-methyl-1,3-benzoxazol-6-yl)-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 124568953
(2-methylfuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 113453316
N-[(3-methyl-4-pyridinyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 114699889
3-(5-chlorothiophen-2-yl)-N-[(5R,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]propanamide
CID 97013076
N-[1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895765

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylfuran-3-yl)methyl]-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea?
The IUPAC name of 1-[(2-methylfuran-3-yl)methyl]-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea (CID 97234923) is 1-[(2-methylfuran-3-yl)methyl]-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea.
What is the SMILES notation for 1-[(2-methylfuran-3-yl)methyl]-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea?
The canonical SMILES for 1-[(2-methylfuran-3-yl)methyl]-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea is Cc1occc1CNC(=O)N[C@H]1CCO[C@]2(CCSC2)C1.
What is the InChIKey of 1-[(2-methylfuran-3-yl)methyl]-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea?
The InChIKey is CPIAZONRZIZBNC-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-12(2-5-19-11)9-16-14(18)17-13-3-6-20-15(8-13)4-7-21-10-15/h2,5,13H,3-4,6-10H2,1H3,(H2,16,17,18)/t13-,15+/m0/s1.
What are the key properties of 1-[(2-methylfuran-3-yl)methyl]-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea?
1-[(2-methylfuran-3-yl)methyl]-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea has a molecular weight of 310.42 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylfuran-3-yl)methyl]-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea is sourced from PubChem (CID 97234923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).