2-(6-thiaspiro[3.5]nonan-9-yl)acetic acid

C10H16O2S — CID 82397414

IUPAC2-(6-thiaspiro[3.5]nonan-9-yl)acetic acid
SMILESO=C(O)CC1CCSCC12CCC2
InChIInChI=1S/C10H16O2S/c11-9(12)6-8-2-5-13-7-10(8)3-1-4-10/h8H,1-7H2,(H,11,12)
InChIKeyIRPOTBTZQRHWJF-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.38
Rot. Bonds2

About 2-(6-thiaspiro[3.5]nonan-9-yl)acetic acid

2-(6-thiaspiro[3.5]nonan-9-yl)acetic acid (PubChem CID 82397414) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 2-(6-thiaspiro[3.5]nonan-9-yl)acetic acid.

Molecular Properties

Compound Name2-(6-thiaspiro[3.5]nonan-9-yl)acetic acid
PubChem CID82397414
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name2-(6-thiaspiro[3.5]nonan-9-yl)acetic acid
SMILESO=C(O)CC1CCSCC12CCC2
InChIInChI=1S/C10H16O2S/c11-9(12)6-8-2-5-13-7-10(8)3-1-4-10/h8H,1-7H2,(H,11,12)
InChIKeyIRPOTBTZQRHWJF-UHFFFAOYSA-N
XLogP2.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(6-thiaspiro[3.5]nonan-9-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-(5,5-difluorothiepan-4-yl)acetic acid
CID 84781199
2-spiro[2.3]hexan-6-ylacetic acid
CID 121207798
2-(6-thiaspiro[3.5]nonan-9-yl)propanoic acid
CID 112716667
N-methyl-1-(2-thiaspiro[5.5]undecan-5-yl)methanamine
CID 83909866
7-thiaspiro[4.5]decan-10-ol
CID 82411755
2-(3-cyclopropylthian-3-yl)acetic acid
CID 83819300
5-thiaspiro[2.5]octan-8-amine
CID 82417837
2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid
CID 98041281
2-[(4R)-1-oxaspiro[2.5]octan-4-yl]acetic acid
CID 130640853
5-thiaspiro[2.5]octan-2-amine
CID 55135236
2-[(3R,4S)-3-hydroxythian-4-yl]acetic acid
CID 96630079
3-(thian-4-yl)propanoic acid
CID 82411342

Frequently Asked Questions

What is the IUPAC name of 2-(6-thiaspiro[3.5]nonan-9-yl)acetic acid?
The IUPAC name of 2-(6-thiaspiro[3.5]nonan-9-yl)acetic acid (CID 82397414) is 2-(6-thiaspiro[3.5]nonan-9-yl)acetic acid.
What is the SMILES notation for 2-(6-thiaspiro[3.5]nonan-9-yl)acetic acid?
The canonical SMILES for 2-(6-thiaspiro[3.5]nonan-9-yl)acetic acid is O=C(O)CC1CCSCC12CCC2.
What is the InChIKey of 2-(6-thiaspiro[3.5]nonan-9-yl)acetic acid?
The InChIKey is IRPOTBTZQRHWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c11-9(12)6-8-2-5-13-7-10(8)3-1-4-10/h8H,1-7H2,(H,11,12).
What are the key properties of 2-(6-thiaspiro[3.5]nonan-9-yl)acetic acid?
2-(6-thiaspiro[3.5]nonan-9-yl)acetic acid has a molecular weight of 200.30 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-thiaspiro[3.5]nonan-9-yl)acetic acid is sourced from PubChem (CID 82397414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).