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

C15H20N2OS3 — CID 81266548

IUPACN-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESNC(=S)CN(C(=O)c1cc2c(s1)CCSC2)C1CCCC1
InChIInChI=1S/C15H20N2OS3/c16-14(19)8-17(11-3-1-2-4-11)15(18)13-7-10-9-20-6-5-12(10)21-13/h7,11H,1-6,8-9H2,(H2,16,19)
InChIKeyYCGMGCAMUUNYQM-UHFFFAOYSA-N
MW340.54 g/mol
LogP3.21
Rot. Bonds4

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

N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (PubChem CID 81266548) has the molecular formula C15H20N2OS3 and a molecular weight of 340.54 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
PubChem CID81266548
Molecular FormulaC15H20N2OS3
Molecular Weight340.54 g/mol
Exact Mass340.07
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESNC(=S)CN(C(=O)c1cc2c(s1)CCSC2)C1CCCC1
InChIInChI=1S/C15H20N2OS3/c16-14(19)8-17(11-3-1-2-4-11)15(18)13-7-10-9-20-6-5-12(10)21-13/h7,11H,1-6,8-9H2,(H2,16,19)
InChIKeyYCGMGCAMUUNYQM-UHFFFAOYSA-N
XLogP3.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-piperidin-4-yl-N-propyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81266924
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81266545
N-[(2-chlorocyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 114301654
N-[[2-(bromomethyl)cyclopentyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 114317282
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 81261126
N-(2-amino-2-sulfanylideneethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide
CID 107961828
N-(2-chloroethyl)-N-cyclohexyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 63391752
2-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl(propyl)amino]acetic acid
CID 81269968
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 81262008
N-(2-aminocyclohexyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81261131
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride
CID 81260755
3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-one
CID 114978270

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (CID 81266548) is N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is NC(=S)CN(C(=O)c1cc2c(s1)CCSC2)C1CCCC1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The InChIKey is YCGMGCAMUUNYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS3/c16-14(19)8-17(11-3-1-2-4-11)15(18)13-7-10-9-20-6-5-12(10)21-13/h7,11H,1-6,8-9H2,(H2,16,19).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide has a molecular weight of 340.54 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is sourced from PubChem (CID 81266548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).