N-(4-chloro-3-methoxyphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

C15H20ClNO2S — CID 107621556

IUPACN-(4-chloro-3-methoxyphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCOc1cc(NC2CCOC3(CCSC3)C2)ccc1Cl
InChIInChI=1S/C15H20ClNO2S/c1-18-14-8-11(2-3-13(14)16)17-12-4-6-19-15(9-12)5-7-20-10-15/h2-3,8,12,17H,4-7,9-10H2,1H3
InChIKeyBYHUAVADVOZVDN-UHFFFAOYSA-N
MW313.85 g/mol
LogP3.82
Rot. Bonds3

About N-(4-chloro-3-methoxyphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

N-(4-chloro-3-methoxyphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 107621556) has the molecular formula C15H20ClNO2S and a molecular weight of 313.85 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID107621556
Molecular FormulaC15H20ClNO2S
Molecular Weight313.85 g/mol
Exact Mass313.09
IUPAC NameN-(4-chloro-3-methoxyphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESCOc1cc(NC2CCOC3(CCSC3)C2)ccc1Cl
InChIInChI=1S/C15H20ClNO2S/c1-18-14-8-11(2-3-13(14)16)17-12-4-6-19-15(9-12)5-7-20-10-15/h2-3,8,12,17H,4-7,9-10H2,1H3
InChIKeyBYHUAVADVOZVDN-UHFFFAOYSA-N
XLogP3.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzonitrile
CID 79898190
N-(3-chloro-4-methoxyphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79898004
N-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897787
N-(4-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897657
N-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897455
N-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897869
N-(4-methylsulfonylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79902139
N-(4-methoxy-2-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903734
4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzamide
CID 79897402
2-nitro-5-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]benzonitrile
CID 124603955
5-chloro-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2,1,3-benzothiadiazol-4-amine
CID 79900484
(5R,9R)-N-[(3-methoxy-4-methylphenyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 124627329

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 107621556) is N-(4-chloro-3-methoxyphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is COc1cc(NC2CCOC3(CCSC3)C2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is BYHUAVADVOZVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2S/c1-18-14-8-11(2-3-13(14)16)17-12-4-6-19-15(9-12)5-7-20-10-15/h2-3,8,12,17H,4-7,9-10H2,1H3.
What are the key properties of N-(4-chloro-3-methoxyphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-(4-chloro-3-methoxyphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 313.85 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 107621556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).