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

C16H22N2OS — CID 43697767

IUPAC1-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)NC2CCSc3ccccc32)CCCCC1
InChIInChI=1S/C16H22N2OS/c17-16(9-4-1-5-10-16)15(19)18-13-8-11-20-14-7-3-2-6-12(13)14/h2-3,6-7,13H,1,4-5,8-11,17H2,(H,18,19)
InChIKeyDFEPHZRHRNIMSH-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.00
Rot. Bonds2

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

1-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide (PubChem CID 43697767) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
PubChem CID43697767
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
SMILESNC1(C(=O)NC2CCSc3ccccc32)CCCCC1
InChIInChI=1S/C16H22N2OS/c17-16(9-4-1-5-10-16)15(19)18-13-8-11-20-14-7-3-2-6-12(13)14/h2-3,6-7,13H,1,4-5,8-11,17H2,(H,18,19)
InChIKeyDFEPHZRHRNIMSH-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115447459
4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methyloxolane-3-carboxamide
CID 66249629
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide
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N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)acetamide
CID 8933642
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethylbutanamide
CID 79810400
(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylacetamide
CID 104897215
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclopentane-1-carboxamide
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1-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 119317483
1-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclohexane-1-carboxamide
CID 107221873
2-bromo-N-(3,4-dihydro-2H-thiochromen-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide (CID 43697767) is 1-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide is NC1(C(=O)NC2CCSc3ccccc32)CCCCC1.
What is the InChIKey of 1-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide?
The InChIKey is DFEPHZRHRNIMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c17-16(9-4-1-5-10-16)15(19)18-13-8-11-20-14-7-3-2-6-12(13)14/h2-3,6-7,13H,1,4-5,8-11,17H2,(H,18,19).
What are the key properties of 1-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide?
1-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 43697767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).