N-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine

C14H18BrNOS — CID 79897787

IUPACN-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESBrc1ccc(NC2CCOC3(CCSC3)C2)cc1
InChIInChI=1S/C14H18BrNOS/c15-11-1-3-12(4-2-11)16-13-5-7-17-14(9-13)6-8-18-10-14/h1-4,13,16H,5-10H2
InChIKeyKUHVSNNVRRNNND-UHFFFAOYSA-N
MW328.27 g/mol
LogP3.92
Rot. Bonds2

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

N-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (PubChem CID 79897787) has the molecular formula C14H18BrNOS and a molecular weight of 328.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
PubChem CID79897787
Molecular FormulaC14H18BrNOS
Molecular Weight328.27 g/mol
Exact Mass327.03
IUPAC NameN-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
SMILESBrc1ccc(NC2CCOC3(CCSC3)C2)cc1
InChIInChI=1S/C14H18BrNOS/c15-11-1-3-12(4-2-11)16-13-5-7-17-14(9-13)6-8-18-10-14/h1-4,13,16H,5-10H2
InChIKeyKUHVSNNVRRNNND-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-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-(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-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897455
N-(4-bromo-2-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81293067
5-bromo-N-[(5R,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]pyrimidin-2-amine
CID 97235132
N-(2,4-dibromophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79894936
N-(4-chloro-3-methoxyphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107621556
2-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)benzonitrile
CID 79898190
N-(2-bromo-6-fluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107599402
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-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The IUPAC name of N-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine (CID 79897787) is N-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is Brc1ccc(NC2CCOC3(CCSC3)C2)cc1.
What is the InChIKey of N-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
The InChIKey is KUHVSNNVRRNNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNOS/c15-11-1-3-12(4-2-11)16-13-5-7-17-14(9-13)6-8-18-10-14/h1-4,13,16H,5-10H2.
What are the key properties of N-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine?
N-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine has a molecular weight of 328.27 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79897787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).