1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-7-amine

C12H16N2O2S — CID 114455986

IUPAC1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-7-amine
SMILESNc1cccc2c1N(S(=O)(=O)CC1CC1)CC2
InChIInChI=1S/C12H16N2O2S/c13-11-3-1-2-10-6-7-14(12(10)11)17(15,16)8-9-4-5-9/h1-3,9H,4-8,13H2
InChIKeyONVPSPVIABXNBL-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.37
Rot. Bonds3

About 1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-7-amine

1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-7-amine (PubChem CID 114455986) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-7-amine.

Molecular Properties

Compound Name1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-7-amine
PubChem CID114455986
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-7-amine
SMILESNc1cccc2c1N(S(=O)(=O)CC1CC1)CC2
InChIInChI=1S/C12H16N2O2S/c13-11-3-1-2-10-6-7-14(12(10)11)17(15,16)8-9-4-5-9/h1-3,9H,4-8,13H2
InChIKeyONVPSPVIABXNBL-UHFFFAOYSA-N
XLogP1.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Methylsulfonyl)indolin-5-amine
CID 735917
1-Benzylsulfonyl-2,3-dihydroindole
CID 870979
N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]hexane-1-sulfonamide
CID 155526866
N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]-2-methylpropane-1-sulfonamide
CID 155548823
N-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]butane-1-sulfonamide
CID 155559810
2-[3-(Aminomethyl)phenyl]-1,2-thiazolidine-1,1-dione
CID 24688479
2-[3-(1-Aminoethyl)phenyl]-1lambda6,2-thiazolidine-1,1-dione
CID 24688834
5,6-dihydro(1H,4H)-1,2,5-thiadiazolo[4,3,2-ij]quinoline 2,2-dioxide
CID 15646701
2-(2,3-dihydro-1H-indole-1-sulfonyl)ethan-1-amine
CID 22692395
1-(Ethylsulfonyl)-2-methylindoline
CID 4081677
N-[2-(2,3-Dihydro-1H-indol-1-YL)-2-[4-(dimethylamino)phenyl]ethyl]ethane-1-sulfonamide
CID 20962713
N-(2-(indolin-1-ylsulfonyl)ethyl)propane-2-sulfonamide
CID 49677057

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-7-amine?
The IUPAC name of 1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-7-amine (CID 114455986) is 1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-7-amine.
What is the SMILES notation for 1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-7-amine?
The canonical SMILES for 1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-7-amine is Nc1cccc2c1N(S(=O)(=O)CC1CC1)CC2.
What is the InChIKey of 1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-7-amine?
The InChIKey is ONVPSPVIABXNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c13-11-3-1-2-10-6-7-14(12(10)11)17(15,16)8-9-4-5-9/h1-3,9H,4-8,13H2.
What are the key properties of 1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-7-amine?
1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-7-amine has a molecular weight of 252.34 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-7-amine is sourced from PubChem (CID 114455986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).