N-methyl-1-[(4S)-spiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,1'-cyclopropane]-4-yl]methanamine

C10H14N2OS — CID 171720950

IUPACN-methyl-1-[(4S)-spiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,1'-cyclopropane]-4-yl]methanamine
SMILESCNC[C@@H]1OCC2(CC2)c2ncsc21
InChIInChI=1S/C10H14N2OS/c1-11-4-7-8-9(12-6-14-8)10(2-3-10)5-13-7/h6-7,11H,2-5H2,1H3/t7-/m0/s1
InChIKeyNEHFQDYDYZMXMJ-ZETCQYMHSA-N
MW210.30 g/mol
LogP1.47
Rot. Bonds2

About N-methyl-1-[(4S)-spiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,1'-cyclopropane]-4-yl]methanamine

N-methyl-1-[(4S)-spiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,1'-cyclopropane]-4-yl]methanamine (PubChem CID 171720950) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is N-methyl-1-[(4S)-spiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,1'-cyclopropane]-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(4S)-spiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,1'-cyclopropane]-4-yl]methanamine
PubChem CID171720950
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC NameN-methyl-1-[(4S)-spiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,1'-cyclopropane]-4-yl]methanamine
SMILESCNC[C@@H]1OCC2(CC2)c2ncsc21
InChIInChI=1S/C10H14N2OS/c1-11-4-7-8-9(12-6-14-8)10(2-3-10)5-13-7/h6-7,11H,2-5H2,1H3/t7-/m0/s1
InChIKeyNEHFQDYDYZMXMJ-ZETCQYMHSA-N
XLogP1.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(4S)-spiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,1'-cyclopropane]-4-yl]methanamine?
The IUPAC name of N-methyl-1-[(4S)-spiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,1'-cyclopropane]-4-yl]methanamine (CID 171720950) is N-methyl-1-[(4S)-spiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,1'-cyclopropane]-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(4S)-spiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,1'-cyclopropane]-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[(4S)-spiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,1'-cyclopropane]-4-yl]methanamine is CNC[C@@H]1OCC2(CC2)c2ncsc21.
What is the InChIKey of N-methyl-1-[(4S)-spiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,1'-cyclopropane]-4-yl]methanamine?
The InChIKey is NEHFQDYDYZMXMJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-11-4-7-8-9(12-6-14-8)10(2-3-10)5-13-7/h6-7,11H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of N-methyl-1-[(4S)-spiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,1'-cyclopropane]-4-yl]methanamine?
N-methyl-1-[(4S)-spiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,1'-cyclopropane]-4-yl]methanamine has a molecular weight of 210.30 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(4S)-spiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,1'-cyclopropane]-4-yl]methanamine is sourced from PubChem (CID 171720950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).