trans-(1R,3R)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine

C10H16ClN3S2 — CID 99106815

IUPACtrans-(1R,3R)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine
SMILESCS[C@@H]1CC[C@@H](N(C)Cc2nnsc2Cl)C1
InChIInChI=1S/C10H16ClN3S2/c1-14(6-9-10(11)16-13-12-9)7-3-4-8(5-7)15-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyCVDMXUJMWAWDNG-HTQZYQBOSA-N
MW277.85 g/mol
LogP2.91
Rot. Bonds4

About trans-(1R,3R)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine

trans-(1R,3R)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine (PubChem CID 99106815) has the molecular formula C10H16ClN3S2 and a molecular weight of 277.85 g/mol. Its IUPAC name is trans-(1R,3R)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine
PubChem CID99106815
Molecular FormulaC10H16ClN3S2
Molecular Weight277.85 g/mol
Exact Mass277.05
IUPAC Nametrans-(1R,3R)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine
SMILESCS[C@@H]1CC[C@@H](N(C)Cc2nnsc2Cl)C1
InChIInChI=1S/C10H16ClN3S2/c1-14(6-9-10(11)16-13-12-9)7-3-4-8(5-7)15-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyCVDMXUJMWAWDNG-HTQZYQBOSA-N
XLogP2.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.85
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine?
The IUPAC name of trans-(1R,3R)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine (CID 99106815) is trans-(1R,3R)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for trans-(1R,3R)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for trans-(1R,3R)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine is CS[C@@H]1CC[C@@H](N(C)Cc2nnsc2Cl)C1.
What is the InChIKey of trans-(1R,3R)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine?
The InChIKey is CVDMXUJMWAWDNG-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H16ClN3S2/c1-14(6-9-10(11)16-13-12-9)7-3-4-8(5-7)15-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,3R)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine?
trans-(1R,3R)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine has a molecular weight of 277.85 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 99106815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).