1-[(5R,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-3-(1-phenylcyclobutyl)urea

C19H26N2O2S — CID 97235550

IUPAC1-[(5R,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-3-(1-phenylcyclobutyl)urea
SMILESO=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)NC1(c2ccccc2)CCC1
InChIInChI=1S/C19H26N2O2S/c22-17(20-16-7-11-23-18(13-16)10-12-24-14-18)21-19(8-4-9-19)15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H2,20,21,22)/t16-,18+/m1/s1
InChIKeyLHCPYAHMYNNFBK-AEFFLSMTSA-N
MW346.50 g/mol
LogP3.42
Rot. Bonds3

About 1-[(5R,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-3-(1-phenylcyclobutyl)urea

1-[(5R,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-3-(1-phenylcyclobutyl)urea (PubChem CID 97235550) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 1-[(5R,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-3-(1-phenylcyclobutyl)urea.

Molecular Properties

Compound Name1-[(5R,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-3-(1-phenylcyclobutyl)urea
PubChem CID97235550
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name1-[(5R,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-3-(1-phenylcyclobutyl)urea
SMILESO=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)NC1(c2ccccc2)CCC1
InChIInChI=1S/C19H26N2O2S/c22-17(20-16-7-11-23-18(13-16)10-12-24-14-18)21-19(8-4-9-19)15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H2,20,21,22)/t16-,18+/m1/s1
InChIKeyLHCPYAHMYNNFBK-AEFFLSMTSA-N
XLogP3.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(5R,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-3-(1-phenylcyclobutyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5R,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-3-[(1S)-1-phenylethyl]urea
CID 98793521
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-[(5-methylthiophen-2-yl)methyl]-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)urea
CID 75384049
6-oxa-2-thiaspiro[4.5]decan-9-yl-(1-phenylcyclopropyl)methanone
CID 79908896
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(5S,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 97234911
1-[(2-methylfuran-3-yl)methyl]-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 97234923
N-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-1H-indole-6-carboxamide
CID 99601505
N-(4-phenylbutan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79899295
1-(2-methyl-1,3-benzoxazol-6-yl)-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 124568953
N-(2-tert-butylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79900190
4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzamide
CID 79897402

Frequently Asked Questions

What is the IUPAC name of 1-[(5R,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-3-(1-phenylcyclobutyl)urea?
The IUPAC name of 1-[(5R,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-3-(1-phenylcyclobutyl)urea (CID 97235550) is 1-[(5R,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-3-(1-phenylcyclobutyl)urea.
What is the SMILES notation for 1-[(5R,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-3-(1-phenylcyclobutyl)urea?
The canonical SMILES for 1-[(5R,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-3-(1-phenylcyclobutyl)urea is O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)NC1(c2ccccc2)CCC1.
What is the InChIKey of 1-[(5R,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-3-(1-phenylcyclobutyl)urea?
The InChIKey is LHCPYAHMYNNFBK-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H26N2O2S/c22-17(20-16-7-11-23-18(13-16)10-12-24-14-18)21-19(8-4-9-19)15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H2,20,21,22)/t16-,18+/m1/s1.
What are the key properties of 1-[(5R,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-3-(1-phenylcyclobutyl)urea?
1-[(5R,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-3-(1-phenylcyclobutyl)urea has a molecular weight of 346.50 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R,9R)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-3-(1-phenylcyclobutyl)urea is sourced from PubChem (CID 97235550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).