(6R)-2-amino-5-methyl-6-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile

C12H17N3S — CID 122485221

IUPAC(6R)-2-amino-5-methyl-6-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
SMILESCCC[C@@H]1Cc2sc(N)c(C#N)c2CN1C
InChIInChI=1S/C12H17N3S/c1-3-4-8-5-11-10(7-15(8)2)9(6-13)12(14)16-11/h8H,3-5,7,14H2,1-2H3/t8-/m1/s1
InChIKeyKCLJHJSSCSCLPV-MRVPVSSYSA-N
MW235.36 g/mol
LogP2.36
Rot. Bonds2

About (6R)-2-amino-5-methyl-6-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile

(6R)-2-amino-5-methyl-6-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile (PubChem CID 122485221) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is (6R)-2-amino-5-methyl-6-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name(6R)-2-amino-5-methyl-6-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
PubChem CID122485221
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name(6R)-2-amino-5-methyl-6-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile
SMILESCCC[C@@H]1Cc2sc(N)c(C#N)c2CN1C
InChIInChI=1S/C12H17N3S/c1-3-4-8-5-11-10(7-15(8)2)9(6-13)12(14)16-11/h8H,3-5,7,14H2,1-2H3/t8-/m1/s1
InChIKeyKCLJHJSSCSCLPV-MRVPVSSYSA-N
XLogP2.36
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-amino-5-methyl-6-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of (6R)-2-amino-5-methyl-6-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile (CID 122485221) is (6R)-2-amino-5-methyl-6-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for (6R)-2-amino-5-methyl-6-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for (6R)-2-amino-5-methyl-6-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile is CCC[C@@H]1Cc2sc(N)c(C#N)c2CN1C.
What is the InChIKey of (6R)-2-amino-5-methyl-6-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
The InChIKey is KCLJHJSSCSCLPV-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-3-4-8-5-11-10(7-15(8)2)9(6-13)12(14)16-11/h8H,3-5,7,14H2,1-2H3/t8-/m1/s1.
What are the key properties of (6R)-2-amino-5-methyl-6-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile?
(6R)-2-amino-5-methyl-6-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile has a molecular weight of 235.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-5-methyl-6-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 122485221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).