2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid

C16H27NO3S — CID 79901134

IUPAC2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C2CCOC3(CCSCC3)C2)C1
InChIInChI=1S/C16H27NO3S/c18-15(19)10-13-2-1-6-17(12-13)14-3-7-20-16(11-14)4-8-21-9-5-16/h13-14H,1-12H2,(H,18,19)
InChIKeyPEOYFTBUAANNEF-UHFFFAOYSA-N
MW313.46 g/mol
LogP2.62
Rot. Bonds3

About 2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid

2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid (PubChem CID 79901134) has the molecular formula C16H27NO3S and a molecular weight of 313.46 g/mol. Its IUPAC name is 2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid
PubChem CID79901134
Molecular FormulaC16H27NO3S
Molecular Weight313.46 g/mol
Exact Mass313.17
IUPAC Name2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C2CCOC3(CCSCC3)C2)C1
InChIInChI=1S/C16H27NO3S/c18-15(19)10-13-2-1-6-17(12-13)14-3-7-20-16(11-14)4-8-21-9-5-16/h13-14H,1-12H2,(H,18,19)
InChIKeyPEOYFTBUAANNEF-UHFFFAOYSA-N
XLogP2.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid 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

2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]ethanol
CID 79920750
2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814138
2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanol
CID 79920547
2-[1-(2,2-dimethyloxan-4-yl)piperidin-3-yl]acetic acid
CID 65060205
2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid
CID 79894445
N-methyl-1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 79901473
2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid
CID 79902227
2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid
CID 79893611
2-[1-(thiolan-3-yl)piperidin-3-yl]acetic acid
CID 65060102
N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 79900888
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
CID 113281993
2-(1-cycloheptylpiperidin-3-yl)acetic acid
CID 65060458

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid (CID 79901134) is 2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C2CCOC3(CCSCC3)C2)C1.
What is the InChIKey of 2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid?
The InChIKey is PEOYFTBUAANNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3S/c18-15(19)10-13-2-1-6-17(12-13)14-3-7-20-16(11-14)4-8-21-9-5-16/h13-14H,1-12H2,(H,18,19).
What are the key properties of 2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid?
2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid has a molecular weight of 313.46 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 79901134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).