N-[(1-methylcyclopropyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C14H24N2S — CID 114101129

IUPACN-[(1-methylcyclopropyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCC1(CNC2=NCC3(CCCCC3)CS2)CC1
InChIInChI=1S/C14H24N2S/c1-13(7-8-13)9-15-12-16-10-14(11-17-12)5-3-2-4-6-14/h2-11H2,1H3,(H,15,16)
InChIKeyOWOCANWXGVQAOT-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.43
Rot. Bonds2

About N-[(1-methylcyclopropyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-[(1-methylcyclopropyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 114101129) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[(1-methylcyclopropyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-[(1-methylcyclopropyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID114101129
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[(1-methylcyclopropyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCC1(CNC2=NCC3(CCCCC3)CS2)CC1
InChIInChI=1S/C14H24N2S/c1-13(7-8-13)9-15-12-16-10-14(11-17-12)5-3-2-4-6-14/h2-11H2,1H3,(H,15,16)
InChIKeyOWOCANWXGVQAOT-UHFFFAOYSA-N
XLogP3.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361640
N-propyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967538
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
ethyl 2-(2-thia-4-azaspiro[5.5]undec-3-en-3-ylamino)acetate
CID 113359768
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-(5,5,5-trifluoropentyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103968010
N-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 113359779
N-[(2-chlorophenyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967585
N-cyclohexyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967537
4-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)butanamide
CID 113294183
N-(3-fluoro-5-methylphenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967962

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopropyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-[(1-methylcyclopropyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 114101129) is N-[(1-methylcyclopropyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-[(1-methylcyclopropyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-[(1-methylcyclopropyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is CC1(CNC2=NCC3(CCCCC3)CS2)CC1.
What is the InChIKey of N-[(1-methylcyclopropyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is OWOCANWXGVQAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-13(7-8-13)9-15-12-16-10-14(11-17-12)5-3-2-4-6-14/h2-11H2,1H3,(H,15,16).
What are the key properties of N-[(1-methylcyclopropyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-[(1-methylcyclopropyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 252.43 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopropyl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 114101129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).