N-methyl-2-(2-methylpropylsulfonyl)-2,3-dihydro-1H-inden-1-amine

C14H21NO2S — CID 64646020

IUPACN-methyl-2-(2-methylpropylsulfonyl)-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1S(=O)(=O)CC(C)C
InChIInChI=1S/C14H21NO2S/c1-10(2)9-18(16,17)13-8-11-6-4-5-7-12(11)14(13)15-3/h4-7,10,13-15H,8-9H2,1-3H3
InChIKeyAYJVMBHHKQFRAG-UHFFFAOYSA-N
MW267.39 g/mol
LogP1.94
Rot. Bonds4

About N-methyl-2-(2-methylpropylsulfonyl)-2,3-dihydro-1H-inden-1-amine

N-methyl-2-(2-methylpropylsulfonyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 64646020) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-methyl-2-(2-methylpropylsulfonyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methylpropylsulfonyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID64646020
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-methyl-2-(2-methylpropylsulfonyl)-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1S(=O)(=O)CC(C)C
InChIInChI=1S/C14H21NO2S/c1-10(2)9-18(16,17)13-8-11-6-4-5-7-12(11)14(13)15-3/h4-7,10,13-15H,8-9H2,1-3H3
InChIKeyAYJVMBHHKQFRAG-UHFFFAOYSA-N
XLogP1.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64646813
N-methyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107759610
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-1-sulfonamide
CID 103834195
2-(4-bromophenyl)sulfonyl-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 64647447
N,4-dimethyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107759768
N-methyl-2-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64676003
N,2-dimethyl-2,3-dihydro-1H-inden-1-amine;ethane
CID 142067268
N-methyl-2-pentylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107758491
N-methyl-2-(2-methylsulfonylethyl)-2,3-dihydro-1H-inden-1-amine
CID 55031640
2-propan-2-ylsulfonyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 64673627
N-(2-amino-2,3-dihydro-1H-inden-1-yl)propane-2-sulfonamide
CID 63767365
(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol
CID 103880518

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpropylsulfonyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-methyl-2-(2-methylpropylsulfonyl)-2,3-dihydro-1H-inden-1-amine (CID 64646020) is N-methyl-2-(2-methylpropylsulfonyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-methyl-2-(2-methylpropylsulfonyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-methyl-2-(2-methylpropylsulfonyl)-2,3-dihydro-1H-inden-1-amine is CNC1c2ccccc2CC1S(=O)(=O)CC(C)C.
What is the InChIKey of N-methyl-2-(2-methylpropylsulfonyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is AYJVMBHHKQFRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10(2)9-18(16,17)13-8-11-6-4-5-7-12(11)14(13)15-3/h4-7,10,13-15H,8-9H2,1-3H3.
What are the key properties of N-methyl-2-(2-methylpropylsulfonyl)-2,3-dihydro-1H-inden-1-amine?
N-methyl-2-(2-methylpropylsulfonyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 267.39 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpropylsulfonyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 64646020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).