4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide

C16H21ClN2OS — CID 60850857

IUPAC4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NC2CCSc3ccc(Cl)cc32)CC1
InChIInChI=1S/C16H21ClN2OS/c17-11-3-6-15-13(9-11)14(7-8-21-15)19-16(20)10-1-4-12(18)5-2-10/h3,6,9-10,12,14H,1-2,4-5,7-8,18H2,(H,19,20)
InChIKeyOHVFXXSWFJYORG-UHFFFAOYSA-N
MW324.88 g/mol
LogP3.51
Rot. Bonds2

About 4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide

4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide (PubChem CID 60850857) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is 4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
PubChem CID60850857
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC Name4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)NC2CCSc3ccc(Cl)cc32)CC1
InChIInChI=1S/C16H21ClN2OS/c17-11-3-6-15-13(9-11)14(7-8-21-15)19-16(20)10-1-4-12(18)5-2-10/h3,6,9-10,12,14H,1-2,4-5,7-8,18H2,(H,19,20)
InChIKeyOHVFXXSWFJYORG-UHFFFAOYSA-N
XLogP3.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 53.51
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
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CID 120984131
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidine-3-carboxamide;hydrochloride
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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
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
CID 66032874
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methylpyrrolidine-3-carboxamide
CID 79388829
N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26007670
N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26007669
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)adamantane-1-carboxamide
CID 18120449
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide
CID 17479306
3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide (CID 60850857) is 4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide is NC1CCC(C(=O)NC2CCSc3ccc(Cl)cc32)CC1.
What is the InChIKey of 4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide?
The InChIKey is OHVFXXSWFJYORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/c17-11-3-6-15-13(9-11)14(7-8-21-15)19-16(20)10-1-4-12(18)5-2-10/h3,6,9-10,12,14H,1-2,4-5,7-8,18H2,(H,19,20).
What are the key properties of 4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide?
4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide has a molecular weight of 324.88 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60850857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).