N-[1-(chloromethyl)cyclopentyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide

C14H18ClNOS2 — CID 114300741

IUPACN-[1-(chloromethyl)cyclopentyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESO=C(NC1(CCl)CCCC1)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H18ClNOS2/c15-9-14(4-1-2-5-14)16-13(17)12-7-10-8-18-6-3-11(10)19-12/h7H,1-6,8-9H2,(H,16,17)
InChIKeyWPSLQUMBXKGXIU-UHFFFAOYSA-N
MW315.89 g/mol
LogP3.82
Rot. Bonds3

About N-[1-(chloromethyl)cyclopentyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide

N-[1-(chloromethyl)cyclopentyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (PubChem CID 114300741) has the molecular formula C14H18ClNOS2 and a molecular weight of 315.89 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
PubChem CID114300741
Molecular FormulaC14H18ClNOS2
Molecular Weight315.89 g/mol
Exact Mass315.05
IUPAC NameN-[1-(chloromethyl)cyclopentyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESO=C(NC1(CCl)CCCC1)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H18ClNOS2/c15-9-14(4-1-2-5-14)16-13(17)12-7-10-8-18-6-3-11(10)19-12/h7H,1-6,8-9H2,(H,16,17)
InChIKeyWPSLQUMBXKGXIU-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.89
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)cyclobutane-1-carboxylic acid
CID 81268142
N-[(1-hydroxycyclobutyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 115700141
2-[1-[(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81265720
N-(6-chlorohexyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 114008438
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride
CID 81260755
N-(1-chloro-3-methylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 114305649
N-[1-(bromomethyl)cyclohexyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 114314246
N-[(2-chlorocyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 114301654
2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82765647
N-[1-(hydroxymethyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 115877894
methyl 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)acetate
CID 80708882
N-[(2R)-1-hydroxybutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 113351917

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclopentyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (CID 114300741) is N-[1-(chloromethyl)cyclopentyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is O=C(NC1(CCl)CCCC1)c1cc2c(s1)CCSC2.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The InChIKey is WPSLQUMBXKGXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNOS2/c15-9-14(4-1-2-5-14)16-13(17)12-7-10-8-18-6-3-11(10)19-12/h7H,1-6,8-9H2,(H,16,17).
What are the key properties of N-[1-(chloromethyl)cyclopentyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
N-[1-(chloromethyl)cyclopentyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide has a molecular weight of 315.89 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is sourced from PubChem (CID 114300741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).