N-[(3-chlorophenyl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

C15H19ClN2S — CID 115361550

IUPACN-[(3-chlorophenyl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESClc1cccc(CNC2=NCC3(CCCC3)CS2)c1
InChIInChI=1S/C15H19ClN2S/c16-13-5-3-4-12(8-13)9-17-14-18-10-15(11-19-14)6-1-2-7-15/h3-5,8H,1-2,6-7,9-11H2,(H,17,18)
InChIKeyKEBVPLYXVYKRRI-UHFFFAOYSA-N
MW294.85 g/mol
LogP4.09
Rot. Bonds2

About N-[(3-chlorophenyl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

N-[(3-chlorophenyl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (PubChem CID 115361550) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
PubChem CID115361550
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC NameN-[(3-chlorophenyl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESClc1cccc(CNC2=NCC3(CCCC3)CS2)c1
InChIInChI=1S/C15H19ClN2S/c16-13-5-3-4-12(8-13)9-17-14-18-10-15(11-19-14)6-1-2-7-15/h3-5,8H,1-2,6-7,9-11H2,(H,17,18)
InChIKeyKEBVPLYXVYKRRI-UHFFFAOYSA-N
XLogP4.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967538
N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 112671224
3-N,3-N-dimethyl-1-N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)benzene-1,3-diamine
CID 115378759
1-[[(3-chlorophenyl)methylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 28530508
N-(2-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967529
N-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913998
N-(4-bromophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967610
N-(2,3,4-trifluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967580
[1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293650
5,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361477
N-[(3-chlorophenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430252
1-[(3-chlorophenyl)methyl]cyclopentan-1-ol
CID 60798466

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (CID 115361550) is N-[(3-chlorophenyl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is Clc1cccc(CNC2=NCC3(CCCC3)CS2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The InChIKey is KEBVPLYXVYKRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c16-13-5-3-4-12(8-13)9-17-14-18-10-15(11-19-14)6-1-2-7-15/h3-5,8H,1-2,6-7,9-11H2,(H,17,18).
What are the key properties of N-[(3-chlorophenyl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
N-[(3-chlorophenyl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine has a molecular weight of 294.85 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is sourced from PubChem (CID 115361550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).