N-cyclohexyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C15H26N2S — CID 103967537

IUPACN-cyclohexyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESC1CCC(NC2=NCC3(CCCCC3)CS2)CC1
InChIInChI=1S/C15H26N2S/c1-3-7-13(8-4-1)17-14-16-11-15(12-18-14)9-5-2-6-10-15/h13H,1-12H2,(H,16,17)
InChIKeyIGGFERBKHMMRSM-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.96
Rot. Bonds1

About N-cyclohexyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-cyclohexyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967537) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-cyclohexyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967537
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-cyclohexyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESC1CCC(NC2=NCC3(CCCCC3)CS2)CC1
InChIInChI=1S/C15H26N2S/c1-3-7-13(8-4-1)17-14-16-11-15(12-18-14)9-5-2-6-10-15/h13H,1-12H2,(H,16,17)
InChIKeyIGGFERBKHMMRSM-UHFFFAOYSA-N
XLogP3.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethyloxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968025
5-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)piperidin-2-one
CID 103967892
N-(2-methylcyclopropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361544
N-(dicyclopropylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967744
N-cyclohexyl-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249625
N-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 113359779
N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967538
N-(4-bromophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967610
N-(4-fluorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967612
N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)morpholin-4-amine
CID 113359783
N-(4-iodophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967525
N-(3,4-dichlorophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967592

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-cyclohexyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967537) is N-cyclohexyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-cyclohexyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-cyclohexyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is C1CCC(NC2=NCC3(CCCCC3)CS2)CC1.
What is the InChIKey of N-cyclohexyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is IGGFERBKHMMRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-3-7-13(8-4-1)17-14-16-11-15(12-18-14)9-5-2-6-10-15/h13H,1-12H2,(H,16,17).
What are the key properties of N-cyclohexyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-cyclohexyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 266.45 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).