(3aR,7aR)-3,3a,4,6,7,7a-hexahydrothiopyrano[3,4-d]imidazol-2-amine

C6H11N3S — CID 155441884

IUPAC(3aR,7aR)-3,3a,4,6,7,7a-hexahydrothiopyrano[3,4-d]imidazol-2-amine
SMILESNC1=N[C@@H]2CCSC[C@@H]2N1
InChIInChI=1S/C6H11N3S/c7-6-8-4-1-2-10-3-5(4)9-6/h4-5H,1-3H2,(H3,7,8,9)/t4-,5+/m1/s1
InChIKeyRJUXMRZHZVBQOB-UHNVWZDZSA-N
MW157.24 g/mol
LogP-0.22
Rot. Bonds

About (3aR,7aR)-3,3a,4,6,7,7a-hexahydrothiopyrano[3,4-d]imidazol-2-amine

(3aR,7aR)-3,3a,4,6,7,7a-hexahydrothiopyrano[3,4-d]imidazol-2-amine (PubChem CID 155441884) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is (3aR,7aR)-3,3a,4,6,7,7a-hexahydrothiopyrano[3,4-d]imidazol-2-amine.

Molecular Properties

Compound Name(3aR,7aR)-3,3a,4,6,7,7a-hexahydrothiopyrano[3,4-d]imidazol-2-amine
PubChem CID155441884
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name(3aR,7aR)-3,3a,4,6,7,7a-hexahydrothiopyrano[3,4-d]imidazol-2-amine
SMILESNC1=N[C@@H]2CCSC[C@@H]2N1
InChIInChI=1S/C6H11N3S/c7-6-8-4-1-2-10-3-5(4)9-6/h4-5H,1-3H2,(H3,7,8,9)/t4-,5+/m1/s1
InChIKeyRJUXMRZHZVBQOB-UHNVWZDZSA-N
XLogP-0.22
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3aR,7aR)-3,3a,4,6,7,7a-hexahydrothiopyrano[3,4-d]imidazol-2-amine with MolForge

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Related Compounds

bis(3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-amine);bis(2,2,2-trifluoroacetic acid)
CID 175705660
1,2,3,4-tetrahydro-1,3,5-triazine-2,4,6-triamine
CID 90706888
2,6-dimethyl-3,6-dihydro-2H-1,3,5-thiadiazin-4-amine
CID 12600795
(3aS,7aR)-1,2,3,3a,4,5,7,7a-octahydrothiopyrano[3,4-b]pyrrole
CID 96733476
3-amino-4-(thiolan-3-yl)-1H-1,2,4-triazole-5-thione
CID 103064921
3-N-(thiolan-3-yl)-1H-1,2,4-triazole-3,5-diamine
CID 103065144
4-(thian-4-yl)-1H-pyrimidine-2,4,5-triamine
CID 154195786
1,2,3,4a,5,6,8,8a-octahydrothiopyrano[3,4-b]pyridin-4-one
CID 83914557
(1R,5S,7R)-3-amino-2,4,6-triazabicyclo[3.2.1]oct-3-ene-7-carboxylic acid
CID 50918859
2-tert-butyl-4-(thiolan-3-yl)imidazole-1,5-diamine
CID 107133535
4-chloro-1-(thiolan-3-ylmethyl)pyrazol-5-amine
CID 107132534
1,3,4,4a,5,7,8,8a-octahydrothiopyrano[4,3-b]pyridin-2-one
CID 83816303

Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-3,3a,4,6,7,7a-hexahydrothiopyrano[3,4-d]imidazol-2-amine?
The IUPAC name of (3aR,7aR)-3,3a,4,6,7,7a-hexahydrothiopyrano[3,4-d]imidazol-2-amine (CID 155441884) is (3aR,7aR)-3,3a,4,6,7,7a-hexahydrothiopyrano[3,4-d]imidazol-2-amine.
What is the SMILES notation for (3aR,7aR)-3,3a,4,6,7,7a-hexahydrothiopyrano[3,4-d]imidazol-2-amine?
The canonical SMILES for (3aR,7aR)-3,3a,4,6,7,7a-hexahydrothiopyrano[3,4-d]imidazol-2-amine is NC1=N[C@@H]2CCSC[C@@H]2N1.
What is the InChIKey of (3aR,7aR)-3,3a,4,6,7,7a-hexahydrothiopyrano[3,4-d]imidazol-2-amine?
The InChIKey is RJUXMRZHZVBQOB-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H11N3S/c7-6-8-4-1-2-10-3-5(4)9-6/h4-5H,1-3H2,(H3,7,8,9)/t4-,5+/m1/s1.
What are the key properties of (3aR,7aR)-3,3a,4,6,7,7a-hexahydrothiopyrano[3,4-d]imidazol-2-amine?
(3aR,7aR)-3,3a,4,6,7,7a-hexahydrothiopyrano[3,4-d]imidazol-2-amine has a molecular weight of 157.24 g/mol, XLogP of -0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-3,3a,4,6,7,7a-hexahydrothiopyrano[3,4-d]imidazol-2-amine is sourced from PubChem (CID 155441884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).