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

C14H26N2S — CID 103967564

IUPACN-pentan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCCCC(C)NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C14H26N2S/c1-3-7-12(2)16-13-15-10-14(11-17-13)8-5-4-6-9-14/h12H,3-11H2,1-2H3,(H,15,16)
InChIKeyAYMRBCHKUZOKML-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.82
Rot. Bonds3

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

N-pentan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967564) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N-pentan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-pentan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967564
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN-pentan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCCCC(C)NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C14H26N2S/c1-3-7-12(2)16-13-15-10-14(11-17-13)8-5-4-6-9-14/h12H,3-11H2,1-2H3,(H,15,16)
InChIKeyAYMRBCHKUZOKML-UHFFFAOYSA-N
XLogP3.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3792463
N1-(1,3-thiazolan-2-yliden)-3,3,5-trimethylcyclohexan-1-amine
CID 2731009
N-(2-methylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 5018374
5-methyl-N-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2999911
Ethyl-(1-thia-3-aza-spiro[5.5]undec-2-en-2-yl)-amine
CID 90671457
N-(2,2,2-trifluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967598
N-(3,3,3-trifluoropropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967876
N-(2,2-difluoroethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968008
N-(4,4,4-trifluorobutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968009
N-(5,5,5-trifluoropentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968010
N-(4,4,4-trifluorobutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 105943244
N-(2,2,3,3-tetrafluoropropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 106294928

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-pentan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967564) is N-pentan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-pentan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-pentan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is CCCC(C)NC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-pentan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is AYMRBCHKUZOKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-3-7-12(2)16-13-15-10-14(11-17-13)8-5-4-6-9-14/h12H,3-11H2,1-2H3,(H,15,16).
What are the key properties of N-pentan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-pentan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 254.44 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).