N-spiro[4.5]decan-8-yl-1,3,4-thiadiazol-2-amine

C12H19N3S — CID 107648892

IUPACN-spiro[4.5]decan-8-yl-1,3,4-thiadiazol-2-amine
SMILESc1nnc(NC2CCC3(CCCC3)CC2)s1
InChIInChI=1S/C12H19N3S/c1-2-6-12(5-1)7-3-10(4-8-12)14-11-15-13-9-16-11/h9-10H,1-8H2,(H,14,15)
InChIKeyBIDNTWVNVBJORL-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.45
Rot. Bonds2

About N-spiro[4.5]decan-8-yl-1,3,4-thiadiazol-2-amine

N-spiro[4.5]decan-8-yl-1,3,4-thiadiazol-2-amine (PubChem CID 107648892) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-spiro[4.5]decan-8-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-spiro[4.5]decan-8-yl-1,3,4-thiadiazol-2-amine
PubChem CID107648892
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-spiro[4.5]decan-8-yl-1,3,4-thiadiazol-2-amine
SMILESc1nnc(NC2CCC3(CCCC3)CC2)s1
InChIInChI=1S/C12H19N3S/c1-2-6-12(5-1)7-3-10(4-8-12)14-11-15-13-9-16-11/h9-10H,1-8H2,(H,14,15)
InChIKeyBIDNTWVNVBJORL-UHFFFAOYSA-N
XLogP3.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-spiro[4.5]decan-8-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-spiro[4.5]decan-8-yl-1,3,4-thiadiazol-2-amine (CID 107648892) is N-spiro[4.5]decan-8-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-spiro[4.5]decan-8-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-spiro[4.5]decan-8-yl-1,3,4-thiadiazol-2-amine is c1nnc(NC2CCC3(CCCC3)CC2)s1.
What is the InChIKey of N-spiro[4.5]decan-8-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is BIDNTWVNVBJORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-2-6-12(5-1)7-3-10(4-8-12)14-11-15-13-9-16-11/h9-10H,1-8H2,(H,14,15).
What are the key properties of N-spiro[4.5]decan-8-yl-1,3,4-thiadiazol-2-amine?
N-spiro[4.5]decan-8-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 237.37 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[4.5]decan-8-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).