3,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine

C16H29NOS — CID 80692366

IUPAC3,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
SMILESCC1(C)CCC(N)(C2CCOC3(CCSCC3)C2)C1
InChIInChI=1S/C16H29NOS/c1-14(2)4-5-16(17,12-14)13-3-8-18-15(11-13)6-9-19-10-7-15/h13H,3-12,17H2,1-2H3
InChIKeyIUNVOAXXGPMUIC-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.59
Rot. Bonds1

About 3,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine

3,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine (PubChem CID 80692366) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
PubChem CID80692366
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC Name3,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
SMILESCC1(C)CCC(N)(C2CCOC3(CCSCC3)C2)C1
InChIInChI=1S/C16H29NOS/c1-14(2)4-5-16(17,12-14)13-3-8-18-15(11-13)6-9-19-10-7-15/h13H,3-12,17H2,1-2H3
InChIKeyIUNVOAXXGPMUIC-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine 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

4,4-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79912723
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-amine
CID 79912985
2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79913520
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79908105
(4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79910538
3,3-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexan-1-ol
CID 79913687
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxepan-4-amine
CID 79912993
4,4-dimethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cycloheptan-1-ol
CID 79913693
1-(2,2-dimethyloxan-4-yl)cyclopropan-1-amine
CID 83905727
5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)thian-3-ol
CID 79947103
4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)azepan-4-ol
CID 103982929
1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 79912406

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine (CID 80692366) is 3,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine is CC1(C)CCC(N)(C2CCOC3(CCSCC3)C2)C1.
What is the InChIKey of 3,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine?
The InChIKey is IUNVOAXXGPMUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS/c1-14(2)4-5-16(17,12-14)13-3-8-18-15(11-13)6-9-19-10-7-15/h13H,3-12,17H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine?
3,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine has a molecular weight of 283.48 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentan-1-amine is sourced from PubChem (CID 80692366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).