N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-1-sulfonamide

C15H23N3O2S — CID 79723067

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NC1CCc2cc(N)ccc21
InChIInChI=1S/C15H23N3O2S/c1-11-4-2-3-9-18(11)21(19,20)17-15-8-5-12-10-13(16)6-7-14(12)15/h6-7,10-11,15,17H,2-5,8-9,16H2,1H3
InChIKeyZGIJXKDAAGQAIW-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.96
Rot. Bonds3

About N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-1-sulfonamide

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-1-sulfonamide (PubChem CID 79723067) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-1-sulfonamide
PubChem CID79723067
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NC1CCc2cc(N)ccc21
InChIInChI=1S/C15H23N3O2S/c1-11-4-2-3-9-18(11)21(19,20)17-15-8-5-12-10-13(16)6-7-14(12)15/h6-7,10-11,15,17H,2-5,8-9,16H2,1H3
InChIKeyZGIJXKDAAGQAIW-UHFFFAOYSA-N
XLogP1.96
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 83009052
N-(4-amino-2-bromophenyl)-2-methylpiperidine-1-sulfonamide
CID 43550872
1-N-(ethylsulfamoyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 114811154
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenesulfonamide
CID 79723350
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanesulfonamide
CID 105361458
5-amino-1-(dipropylsulfamoylamino)-2,3-dihydro-1H-indene
CID 79723506
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylbenzenesulfonamide
CID 79723505
1-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79726521
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide
CID 79723808
1-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79740768
1-N-(2-piperidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79730901
6-amino-1-[[cyclohexyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 120722191

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-1-sulfonamide (CID 79723067) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)NC1CCc2cc(N)ccc21.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-1-sulfonamide?
The InChIKey is ZGIJXKDAAGQAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-11-4-2-3-9-18(11)21(19,20)17-15-8-5-12-10-13(16)6-7-14(12)15/h6-7,10-11,15,17H,2-5,8-9,16H2,1H3.
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-1-sulfonamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-1-sulfonamide has a molecular weight of 309.43 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 79723067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).