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

C16H22N2OS — CID 63041813

IUPAC3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NC2CCSc3ccccc32)C1
InChIInChI=1S/C16H22N2OS/c17-12-5-3-4-11(10-12)16(19)18-14-8-9-20-15-7-2-1-6-13(14)15/h1-2,6-7,11-12,14H,3-5,8-10,17H2,(H,18,19)
InChIKeyPXTSBDIHSYDNCR-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.86
Rot. Bonds2

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

3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide (PubChem CID 63041813) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
PubChem CID63041813
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NC2CCSc3ccccc32)C1
InChIInChI=1S/C16H22N2OS/c17-12-5-3-4-11(10-12)16(19)18-14-8-9-20-15-7-2-1-6-13(14)15/h1-2,6-7,11-12,14H,3-5,8-10,17H2,(H,18,19)
InChIKeyPXTSBDIHSYDNCR-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
CID 66032874
3-amino-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 63042687
3-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide
CID 63042686
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
CID 64822346
(3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide
CID 81123604
1-(cyclopropanecarbonyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide
CID 51103447
5-cyclopropyl-N-(3,4-dihydro-2H-thiochromen-4-yl)pyrazolidine-3-carboxamide
CID 75617518
3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119716211
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylpiperidine-2-carboxamide
CID 107067269
N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide
CID 82906018
3-amino-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxamide
CID 122081064
N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide (CID 63041813) is 3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide is NC1CCCC(C(=O)NC2CCSc3ccccc32)C1.
What is the InChIKey of 3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide?
The InChIKey is PXTSBDIHSYDNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c17-12-5-3-4-11(10-12)16(19)18-14-8-9-20-15-7-2-1-6-13(14)15/h1-2,6-7,11-12,14H,3-5,8-10,17H2,(H,18,19).
What are the key properties of 3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide?
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63041813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).