N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidine-3-carboxamide;hydrochloride

C14H18Cl2N2OS — CID 119696448

IUPACN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCSc2ccc(Cl)cc21)C1CCNC1
InChIInChI=1S/C14H17ClN2OS.ClH/c15-10-1-2-13-11(7-10)12(4-6-19-13)17-14(18)9-3-5-16-8-9;/h1-2,7,9,12,16H,3-6,8H2,(H,17,18);1H
InChIKeyTZBUUUGNGHRWNG-UHFFFAOYSA-N
MW333.28 g/mol
LogP3.02
Rot. Bonds2

About N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidine-3-carboxamide;hydrochloride

N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119696448) has the molecular formula C14H18Cl2N2OS and a molecular weight of 333.28 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119696448
Molecular FormulaC14H18Cl2N2OS
Molecular Weight333.28 g/mol
Exact Mass332.05
IUPAC NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCSc2ccc(Cl)cc21)C1CCNC1
InChIInChI=1S/C14H17ClN2OS.ClH/c15-10-1-2-13-11(7-10)12(4-6-19-13)17-14(18)9-3-5-16-8-9;/h1-2,7,9,12,16H,3-6,8H2,(H,17,18);1H
InChIKeyTZBUUUGNGHRWNG-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide
CID 43709277
4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
CID 60850857
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidin-3-amine
CID 79730659
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyrrolidine-3-carboxamide
CID 79388829
9-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984131
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-4-carboxamide
CID 43703539
(3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide
CID 81123604
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide
CID 62492313
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-(methylamino)acetamide;hydrochloride
CID 119696427
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide
CID 17479306
4-bromo-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 60697768
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)adamantane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidine-3-carboxamide;hydrochloride (CID 119696448) is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NC1CCSc2ccc(Cl)cc21)C1CCNC1.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is TZBUUUGNGHRWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS.ClH/c15-10-1-2-13-11(7-10)12(4-6-19-13)17-14(18)9-3-5-16-8-9;/h1-2,7,9,12,16H,3-6,8H2,(H,17,18);1H.
What are the key properties of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 333.28 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119696448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).