6-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)hexanamide

C15H21ClN2OS — CID 43709288

IUPAC6-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)hexanamide
SMILESNCCCCCC(=O)NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C15H21ClN2OS/c16-11-5-6-14-12(10-11)13(7-9-20-14)18-15(19)4-2-1-3-8-17/h5-6,10,13H,1-4,7-9,17H2,(H,18,19)
InChIKeyDVLDNDLXFKPMJL-UHFFFAOYSA-N
MW312.87 g/mol
LogP3.51
Rot. Bonds6

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

6-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)hexanamide (PubChem CID 43709288) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is 6-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)hexanamide
PubChem CID43709288
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC Name6-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)hexanamide
SMILESNCCCCCC(=O)NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C15H21ClN2OS/c16-11-5-6-14-12(10-11)13(7-9-20-14)18-15(19)4-2-1-3-8-17/h5-6,10,13H,1-4,7-9,17H2,(H,18,19)
InChIKeyDVLDNDLXFKPMJL-UHFFFAOYSA-N
XLogP3.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylsulfanylpropanamide
CID 43045487
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-(methylamino)acetamide;hydrochloride
CID 119696427
3-(2-aminophenyl)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride
CID 120608399
4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide
CID 103154733
4-[[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]carbamoylamino]butanamide
CID 97079525
3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide
CID 43232911
4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide;hydrochloride
CID 120587543
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-(2-methylphenyl)acetamide
CID 46656521
5-[(3aR,4R,6aS)-2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pentanamide
CID 25480480
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 46445575
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide
CID 62492313
3-(4-chlorophenyl)-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]propanamide
CID 51886155

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)hexanamide?
The IUPAC name of 6-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)hexanamide (CID 43709288) is 6-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)hexanamide.
What is the SMILES notation for 6-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)hexanamide?
The canonical SMILES for 6-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)hexanamide is NCCCCCC(=O)NC1CCSc2ccc(Cl)cc21.
What is the InChIKey of 6-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)hexanamide?
The InChIKey is DVLDNDLXFKPMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS/c16-11-5-6-14-12(10-11)13(7-9-20-14)18-15(19)4-2-1-3-8-17/h5-6,10,13H,1-4,7-9,17H2,(H,18,19).
What are the key properties of 6-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)hexanamide?
6-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)hexanamide has a molecular weight of 312.87 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)hexanamide is sourced from PubChem (CID 43709288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).