N-(thiadiazol-4-ylmethyl)spiro[2.4]heptan-2-amine

C10H15N3S — CID 130708786

IUPACN-(thiadiazol-4-ylmethyl)spiro[2.4]heptan-2-amine
SMILESc1snnc1CNC1CC12CCCC2
InChIInChI=1S/C10H15N3S/c1-2-4-10(3-1)5-9(10)11-6-8-7-14-13-12-8/h7,9,11H,1-6H2
InChIKeyIUJRWIZBLFOBCC-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.96
Rot. Bonds3

About N-(thiadiazol-4-ylmethyl)spiro[2.4]heptan-2-amine

N-(thiadiazol-4-ylmethyl)spiro[2.4]heptan-2-amine (PubChem CID 130708786) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is N-(thiadiazol-4-ylmethyl)spiro[2.4]heptan-2-amine.

Molecular Properties

Compound NameN-(thiadiazol-4-ylmethyl)spiro[2.4]heptan-2-amine
PubChem CID130708786
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC NameN-(thiadiazol-4-ylmethyl)spiro[2.4]heptan-2-amine
SMILESc1snnc1CNC1CC12CCCC2
InChIInChI=1S/C10H15N3S/c1-2-4-10(3-1)5-9(10)11-6-8-7-14-13-12-8/h7,9,11H,1-6H2
InChIKeyIUJRWIZBLFOBCC-UHFFFAOYSA-N
XLogP1.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(thiadiazol-4-ylmethyl)cyclopent-3-en-1-amine
CID 115908324
2,2,6,6-tetramethyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
CID 43664031
trans-(1R,2R)-2-fluoro-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
CID 126791245
trans-(1R,2R)-2-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
CID 93257837
N-[(1-ethylcyclopentyl)methyl]-1-(thiadiazol-4-yl)methanamine
CID 115908125
1-[(thiadiazol-4-ylmethylamino)methyl]cyclobutan-1-ol
CID 115907322
3-methyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
CID 43664134
cis-(1R,3S)-2,2-dimethyl-3-phenylmethoxy-N-(thiadiazol-4-ylmethyl)cyclobutan-1-amine
CID 124618678
4-phenyl-N-(thiadiazol-4-ylmethyl)cyclohexan-1-amine
CID 43673855
2,6,6-trimethyl-N-(thiadiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine
CID 43734851
N-[(1-propylcyclopropyl)methyl]-1-(thiadiazol-4-yl)methanamine
CID 115908300
5-(thiadiazol-4-ylmethylamino)piperidin-2-one
CID 63662075

Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-4-ylmethyl)spiro[2.4]heptan-2-amine?
The IUPAC name of N-(thiadiazol-4-ylmethyl)spiro[2.4]heptan-2-amine (CID 130708786) is N-(thiadiazol-4-ylmethyl)spiro[2.4]heptan-2-amine.
What is the SMILES notation for N-(thiadiazol-4-ylmethyl)spiro[2.4]heptan-2-amine?
The canonical SMILES for N-(thiadiazol-4-ylmethyl)spiro[2.4]heptan-2-amine is c1snnc1CNC1CC12CCCC2.
What is the InChIKey of N-(thiadiazol-4-ylmethyl)spiro[2.4]heptan-2-amine?
The InChIKey is IUJRWIZBLFOBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-2-4-10(3-1)5-9(10)11-6-8-7-14-13-12-8/h7,9,11H,1-6H2.
What are the key properties of N-(thiadiazol-4-ylmethyl)spiro[2.4]heptan-2-amine?
N-(thiadiazol-4-ylmethyl)spiro[2.4]heptan-2-amine has a molecular weight of 209.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-4-ylmethyl)spiro[2.4]heptan-2-amine is sourced from PubChem (CID 130708786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).