N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,3-dihydro-1H-indene-5-carboxamide

C15H20N2OS — CID 54988367

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCCN(CCC(N)=S)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H20N2OS/c1-2-17(9-8-14(16)19)15(18)13-7-6-11-4-3-5-12(11)10-13/h6-7,10H,2-5,8-9H2,1H3,(H2,16,19)
InChIKeyBOFXOSBRRSGHOD-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.31
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,3-dihydro-1H-indene-5-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 54988367) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID54988367
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCCN(CCC(N)=S)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H20N2OS/c1-2-17(9-8-14(16)19)15(18)13-7-6-11-4-3-5-12(11)10-13/h6-7,10H,2-5,8-9H2,1H3,(H2,16,19)
InChIKeyBOFXOSBRRSGHOD-UHFFFAOYSA-N
XLogP2.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-fluoro-4-methoxybenzamide
CID 55131775
2-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-oxoacetamide
CID 82118310
N-(4-amino-4-sulfanylidenebutyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 55102214
N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 79700663
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-propoxybenzamide
CID 62921386
N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 86971881
N,N-diethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693371
N-(3-amino-3-sulfanylidenepropyl)-5-bromo-N-ethylthiophene-3-carboxamide
CID 107961729
N-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 55594329
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 76936987
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide
CID 114026066
N-(1-aminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 113265742

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,3-dihydro-1H-indene-5-carboxamide (CID 54988367) is N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,3-dihydro-1H-indene-5-carboxamide is CCN(CCC(N)=S)C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is BOFXOSBRRSGHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-17(9-8-14(16)19)15(18)13-7-6-11-4-3-5-12(11)10-13/h6-7,10H,2-5,8-9H2,1H3,(H2,16,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,3-dihydro-1H-indene-5-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 276.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 54988367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).