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

C12H22N2S — CID 103967538

IUPACN-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCCCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C12H22N2S/c1-2-8-13-11-14-9-12(10-15-11)6-4-3-5-7-12/h2-10H2,1H3,(H,13,14)
InChIKeyBCHNQMWFCDQSIG-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.04
Rot. Bonds2

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

N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967538) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967538
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCCCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C12H22N2S/c1-2-8-13-11-14-9-12(10-15-11)6-4-3-5-7-12/h2-10H2,1H3,(H,13,14)
InChIKeyBCHNQMWFCDQSIG-UHFFFAOYSA-N
XLogP3.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylcyclopropyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 114101129
N-(5,5,5-trifluoropentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968010
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
4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)butanamide
CID 113294183
N-(2-phenoxyethyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361425
N-[(4-methyl-3-pyridinyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 114956901
N-(4-methylpentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967670
N-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 113359779
N-heptan-2-yl-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361327
N-(4-imidazol-1-ylbutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967819
N-[(1-ethylpyrrolidin-3-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361289
N-[(2-chlorophenyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967585

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967538) is N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is CCCNC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is BCHNQMWFCDQSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-2-8-13-11-14-9-12(10-15-11)6-4-3-5-7-12/h2-10H2,1H3,(H,13,14).
What are the key properties of N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 226.39 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).