N-[(2-chlorophenyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C16H21ClN2S — CID 103967585

IUPACN-[(2-chlorophenyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESClc1ccccc1CNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C16H21ClN2S/c17-14-7-3-2-6-13(14)10-18-15-19-11-16(12-20-15)8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-12H2,(H,18,19)
InChIKeyOYSKSJBRBMLVSC-UHFFFAOYSA-N
MW308.88 g/mol
LogP4.48
Rot. Bonds2

About N-[(2-chlorophenyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-[(2-chlorophenyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967585) has the molecular formula C16H21ClN2S and a molecular weight of 308.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967585
Molecular FormulaC16H21ClN2S
Molecular Weight308.88 g/mol
Exact Mass308.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESClc1ccccc1CNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C16H21ClN2S/c17-14-7-3-2-6-13(14)10-18-15-19-11-16(12-20-15)8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-12H2,(H,18,19)
InChIKeyOYSKSJBRBMLVSC-UHFFFAOYSA-N
XLogP4.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.88
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-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-[(3-chlorophenyl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361550
N-[(4-methyl-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 114956901
N-(3,4-dichlorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967592
N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 112671224
N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967538
N-[(6-methoxy-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967871
N-(4-bromophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967610
N-(2-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967529
N-(1-phenylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967875
N-(4-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967525
2-N,2-N,2-trimethyl-1-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)propane-1,2-diamine
CID 113294236
N-[2-(trifluoromethyl)phenyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361025

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967585) is N-[(2-chlorophenyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is Clc1ccccc1CNC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is OYSKSJBRBMLVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2S/c17-14-7-3-2-6-13(14)10-18-15-19-11-16(12-20-15)8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-12H2,(H,18,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-[(2-chlorophenyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 308.88 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).