(3R)-N,N-diethyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide

C16H20N2OS — CID 14925509

IUPAC(3R)-N,N-diethyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1Cc2c(sc3ccccc23)CN1
InChIInChI=1S/C16H20N2OS/c1-3-18(4-2)16(19)13-9-12-11-7-5-6-8-14(11)20-15(12)10-17-13/h5-8,13,17H,3-4,9-10H2,1-2H3/t13-/m1/s1
InChIKeyVELQRCHYUYIJKJ-CYBMUJFWSA-N
MW288.42 g/mol
LogP2.78
Rot. Bonds3

About (3R)-N,N-diethyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide

(3R)-N,N-diethyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide (PubChem CID 14925509) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is (3R)-N,N-diethyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,N-diethyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide
PubChem CID14925509
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name(3R)-N,N-diethyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1Cc2c(sc3ccccc23)CN1
InChIInChI=1S/C16H20N2OS/c1-3-18(4-2)16(19)13-9-12-11-7-5-6-8-14(11)20-15(12)10-17-13/h5-8,13,17H,3-4,9-10H2,1-2H3/t13-/m1/s1
InChIKeyVELQRCHYUYIJKJ-CYBMUJFWSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-diethyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-N,N-diethyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide (CID 14925509) is (3R)-N,N-diethyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-N,N-diethyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-N,N-diethyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide is CCN(CC)C(=O)[C@H]1Cc2c(sc3ccccc23)CN1.
What is the InChIKey of (3R)-N,N-diethyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide?
The InChIKey is VELQRCHYUYIJKJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-3-18(4-2)16(19)13-9-12-11-7-5-6-8-14(11)20-15(12)10-17-13/h5-8,13,17H,3-4,9-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-N,N-diethyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide?
(3R)-N,N-diethyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-diethyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 14925509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).