(3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide

C15H20N2OS — CID 81123604

IUPAC(3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCSc2ccccc21)[C@@H]1CCCNC1
InChIInChI=1S/C15H20N2OS/c18-15(11-4-3-8-16-10-11)17-13-7-9-19-14-6-2-1-5-12(13)14/h1-2,5-6,11,13,16H,3-4,7-10H2,(H,17,18)/t11-,13?/m1/s1
InChIKeyHZGBIEKMOOXXPQ-JTDNENJMSA-N
MW276.40 g/mol
LogP2.34
Rot. Bonds2

About (3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide

(3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide (PubChem CID 81123604) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is (3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide
PubChem CID81123604
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name(3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCSc2ccccc21)[C@@H]1CCCNC1
InChIInChI=1S/C15H20N2OS/c18-15(11-4-3-8-16-10-11)17-13-7-9-19-14-6-2-1-5-12(13)14/h1-2,5-6,11,13,16H,3-4,7-10H2,(H,17,18)/t11-,13?/m1/s1
InChIKeyHZGBIEKMOOXXPQ-JTDNENJMSA-N
XLogP2.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 43652010
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylpiperidine-2-carboxamide
CID 107067269
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
CID 63041813
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119696448
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
CID 66032874
N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide
CID 82906018
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-3-carboxamide
CID 119317747
1-(cyclopropanecarbonyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide
CID 51103447
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
CID 64822346
5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyrazolidine-3-carboxamide
CID 75617518
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide
CID 43709277
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide
CID 43703539

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide (CID 81123604) is (3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide is O=C(NC1CCSc2ccccc21)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide?
The InChIKey is HZGBIEKMOOXXPQ-JTDNENJMSA-N. The full InChI is InChI=1S/C15H20N2OS/c18-15(11-4-3-8-16-10-11)17-13-7-9-19-14-6-2-1-5-12(13)14/h1-2,5-6,11,13,16H,3-4,7-10H2,(H,17,18)/t11-,13?/m1/s1.
What are the key properties of (3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide?
(3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 81123604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).