N-(2,2-dimethylcyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C16H28N2S — CID 103967974

IUPACN-(2,2-dimethylcyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCC1(C)CCCC1NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C16H28N2S/c1-15(2)8-6-7-13(15)18-14-17-11-16(12-19-14)9-4-3-5-10-16/h13H,3-12H2,1-2H3,(H,17,18)
InChIKeyOOVCLKRGXOQJIL-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.21
Rot. Bonds1

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

N-(2,2-dimethylcyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967974) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967974
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-(2,2-dimethylcyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCC1(C)CCCC1NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C16H28N2S/c1-15(2)8-6-7-13(15)18-14-17-11-16(12-19-14)9-4-3-5-10-16/h13H,3-12H2,1-2H3,(H,17,18)
InChIKeyOOVCLKRGXOQJIL-UHFFFAOYSA-N
XLogP4.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967537
N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361544
N-(2,2-dimethyloxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968025
1-methyl-3-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidine-2,6-dione
CID 103967957
N-[(1-methylcyclopropyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 114101129
5-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidin-2-one
CID 103967892
N-(4-bromo-3,5-dimethylphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 107575996
N-(4-bromophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967610
N-(3-fluoro-5-methylphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967962
N-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 113359779
N-(4-methoxyphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967536
N-(4-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967525

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967974) is N-(2,2-dimethylcyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is CC1(C)CCCC1NC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is OOVCLKRGXOQJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-15(2)8-6-7-13(15)18-14-17-11-16(12-19-14)9-4-3-5-10-16/h13H,3-12H2,1-2H3,(H,17,18).
What are the key properties of N-(2,2-dimethylcyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(2,2-dimethylcyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 280.48 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).