N-(4-amino-4-sulfanylidenebutyl)-2,3-dihydro-1H-indene-5-carboxamide

C14H18N2OS — CID 55102214

IUPACN-(4-amino-4-sulfanylidenebutyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESNC(=S)CCCNC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H18N2OS/c15-13(18)5-2-8-16-14(17)12-7-6-10-3-1-4-11(10)9-12/h6-7,9H,1-5,8H2,(H2,15,18)(H,16,17)
InChIKeyWEAYACFWKYBUNK-UHFFFAOYSA-N
MW262.38 g/mol
LogP1.97
Rot. Bonds5

About N-(4-amino-4-sulfanylidenebutyl)-2,3-dihydro-1H-indene-5-carboxamide

N-(4-amino-4-sulfanylidenebutyl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 55102214) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(4-amino-4-sulfanylidenebutyl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-sulfanylidenebutyl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID55102214
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-(4-amino-4-sulfanylidenebutyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESNC(=S)CCCNC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H18N2OS/c15-13(18)5-2-8-16-14(17)12-7-6-10-3-1-4-11(10)9-12/h6-7,9H,1-5,8H2,(H2,15,18)(H,16,17)
InChIKeyWEAYACFWKYBUNK-UHFFFAOYSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
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

3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid
CID 18071901
N-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9295424
N-(5-amino-5-sulfanylidenepentyl)-3,4-dihydroxybenzamide
CID 107728397
N-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 119382194
N-(4-bromopentyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 106130885
N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95903042
N-(4-amino-4-sulfanylidenebutyl)-4-fluoro-3-methylbenzamide
CID 63210296
N-(4-amino-4-sulfanylidenebutyl)-4-methylbenzamide
CID 62666220
N-(4-amino-4-sulfanylidenebutyl)benzamide
CID 62666024
N-(4-amino-4-sulfanylidenebutyl)-4-chloro-3-fluorobenzamide
CID 114024478
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108
N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 55024103

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-sulfanylidenebutyl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(4-amino-4-sulfanylidenebutyl)-2,3-dihydro-1H-indene-5-carboxamide (CID 55102214) is N-(4-amino-4-sulfanylidenebutyl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(4-amino-4-sulfanylidenebutyl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(4-amino-4-sulfanylidenebutyl)-2,3-dihydro-1H-indene-5-carboxamide is NC(=S)CCCNC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(4-amino-4-sulfanylidenebutyl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is WEAYACFWKYBUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c15-13(18)5-2-8-16-14(17)12-7-6-10-3-1-4-11(10)9-12/h6-7,9H,1-5,8H2,(H2,15,18)(H,16,17).
What are the key properties of N-(4-amino-4-sulfanylidenebutyl)-2,3-dihydro-1H-indene-5-carboxamide?
N-(4-amino-4-sulfanylidenebutyl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-sulfanylidenebutyl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 55102214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).