N-(2-methylsulfanylcyclohexyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine

C16H29NOS2 — CID 103904026

IUPACN-(2-methylsulfanylcyclohexyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESCSC1CCCCC1NC1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H29NOS2/c1-19-15-5-3-2-4-14(15)17-13-6-9-18-16(12-13)7-10-20-11-8-16/h13-15,17H,2-12H2,1H3
InChIKeyQEASSZKCZKBVRI-UHFFFAOYSA-N
MW315.55 g/mol
LogP3.69
Rot. Bonds3

About N-(2-methylsulfanylcyclohexyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine

N-(2-methylsulfanylcyclohexyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine (PubChem CID 103904026) has the molecular formula C16H29NOS2 and a molecular weight of 315.55 g/mol. Its IUPAC name is N-(2-methylsulfanylcyclohexyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylcyclohexyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
PubChem CID103904026
Molecular FormulaC16H29NOS2
Molecular Weight315.55 g/mol
Exact Mass315.17
IUPAC NameN-(2-methylsulfanylcyclohexyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
SMILESCSC1CCCCC1NC1CCOC2(CCSCC2)C1
InChIInChI=1S/C16H29NOS2/c1-19-15-5-3-2-4-14(15)17-13-6-9-18-16(12-13)7-10-20-11-8-16/h13-15,17H,2-12H2,1H3
InChIKeyQEASSZKCZKBVRI-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.55
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methylsulfanylcyclohexyl)-1-oxa-9-thiaspiro[5.5]undecan-4-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

N-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 103904016
N-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine
CID 103791802
N-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 103907294
N-(2-methyloxolan-3-yl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 82725580
N-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903238
1-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79898198
N-cyclohexyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898216
3,3-dimethyl-N-(2-methylsulfanylcyclopentyl)cyclopentan-1-amine
CID 104531263
N-(2-methylsulfanylcyclohexyl)oxepan-4-amine
CID 103894919
N-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903163
N-(oxolan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 80713723
N-(oxan-3-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903431

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylcyclohexyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(2-methylsulfanylcyclohexyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine (CID 103904026) is N-(2-methylsulfanylcyclohexyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(2-methylsulfanylcyclohexyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(2-methylsulfanylcyclohexyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine is CSC1CCCCC1NC1CCOC2(CCSCC2)C1.
What is the InChIKey of N-(2-methylsulfanylcyclohexyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
The InChIKey is QEASSZKCZKBVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS2/c1-19-15-5-3-2-4-14(15)17-13-6-9-18-16(12-13)7-10-20-11-8-16/h13-15,17H,2-12H2,1H3.
What are the key properties of N-(2-methylsulfanylcyclohexyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine?
N-(2-methylsulfanylcyclohexyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine has a molecular weight of 315.55 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylcyclohexyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 103904026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).