N-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

C15H21NOS — CID 79897455

IUPACN-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCc1cccc(NC2CCOC3(CCSC3)C2)c1
InChIInChI=1S/C15H21NOS/c1-12-3-2-4-13(9-12)16-14-5-7-17-15(10-14)6-8-18-11-15/h2-4,9,14,16H,5-8,10-11H2,1H3
InChIKeyGRWZCAKOXWQVMH-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.46
Rot. Bonds2

About N-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

N-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 79897455) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID79897455
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCc1cccc(NC2CCOC3(CCSC3)C2)c1
InChIInChI=1S/C15H21NOS/c1-12-3-2-4-13(9-12)16-14-5-7-17-15(10-14)6-8-18-11-15/h2-4,9,14,16H,5-8,10-11H2,1H3
InChIKeyGRWZCAKOXWQVMH-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79897685
N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897456
N-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897787
N-(2-fluoro-5-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897505
N-(4-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897657
N-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897869
4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzamide
CID 79897402
N-(4-methylsulfonylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79902139
N-(4-chloro-3-methoxyphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107621556
N-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107599402
N-(2-tert-butylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79900190
5-bromo-6-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyridin-2-amine
CID 133451315

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 79897455) is N-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is Cc1cccc(NC2CCOC3(CCSC3)C2)c1.
What is the InChIKey of N-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is GRWZCAKOXWQVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-12-3-2-4-13(9-12)16-14-5-7-17-15(10-14)6-8-18-11-15/h2-4,9,14,16H,5-8,10-11H2,1H3.
What are the key properties of N-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 263.41 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79897455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).