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

C15H20N2OS — CID 106892938

IUPACN-(5-amino-5-sulfanylidenepentyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESNC(=S)CCCCNC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C15H20N2OS/c16-14(19)7-3-4-8-17-15(18)13-9-11-5-1-2-6-12(11)10-13/h1-2,5-6,13H,3-4,7-10H2,(H2,16,19)(H,17,18)
InChIKeyYWDDRCJKKRDPJS-UHFFFAOYSA-N
MW276.41 g/mol
LogP1.97
Rot. Bonds6

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

N-(5-amino-5-sulfanylidenepentyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106892938) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-(5-amino-5-sulfanylidenepentyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-5-sulfanylidenepentyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106892938
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-(5-amino-5-sulfanylidenepentyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESNC(=S)CCCCNC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C15H20N2OS/c16-14(19)7-3-4-8-17-15(18)13-9-11-5-1-2-6-12(11)10-13/h1-2,5-6,13H,3-4,7-10H2,(H2,16,19)(H,17,18)
InChIKeyYWDDRCJKKRDPJS-UHFFFAOYSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106894046
ethyl 4-(2,3-dihydro-1H-indene-2-carbonylamino)butanoate
CID 106703117
N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112527808
N-(3-amino-3-sulfanylidenepropyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396706
N-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107848051
N-[3-(diethylamino)propyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 112520153
(3S)-N-(5-amino-5-oxopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106235752
N-(5-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703980
N-(5-chloro-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 114151389
6-(3,4-dihydro-2H-chromene-3-carbonylamino)hexanoic acid
CID 43241983
N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 155137344
4-(2,3-dihydro-1H-indene-2-carbonylamino)-2-hydroxybutanoic acid
CID 107832373

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-sulfanylidenepentyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(5-amino-5-sulfanylidenepentyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 106892938) is N-(5-amino-5-sulfanylidenepentyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(5-amino-5-sulfanylidenepentyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(5-amino-5-sulfanylidenepentyl)-2,3-dihydro-1H-indene-2-carboxamide is NC(=S)CCCCNC(=O)C1Cc2ccccc2C1.
What is the InChIKey of N-(5-amino-5-sulfanylidenepentyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is YWDDRCJKKRDPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c16-14(19)7-3-4-8-17-15(18)13-9-11-5-1-2-6-12(11)10-13/h1-2,5-6,13H,3-4,7-10H2,(H2,16,19)(H,17,18).
What are the key properties of N-(5-amino-5-sulfanylidenepentyl)-2,3-dihydro-1H-indene-2-carboxamide?
N-(5-amino-5-sulfanylidenepentyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 276.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-sulfanylidenepentyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106892938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).