N-methyl-N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide

C13H20N2O2S2 — CID 112661678

IUPACN-methyl-N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide
SMILESCSCC(C)N(C)S(=O)(=O)c1ccc2c(c1)NCC2
InChIInChI=1S/C13H20N2O2S2/c1-10(9-18-3)15(2)19(16,17)12-5-4-11-6-7-14-13(11)8-12/h4-5,8,10,14H,6-7,9H2,1-3H3
InChIKeyHVRKKMWQDZYAHN-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.03
Rot. Bonds5

About N-methyl-N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide

N-methyl-N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide (PubChem CID 112661678) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide
PubChem CID112661678
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC NameN-methyl-N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide
SMILESCSCC(C)N(C)S(=O)(=O)c1ccc2c(c1)NCC2
InChIInChI=1S/C13H20N2O2S2/c1-10(9-18-3)15(2)19(16,17)12-5-4-11-6-7-14-13(11)8-12/h4-5,8,10,14H,6-7,9H2,1-3H3
InChIKeyHVRKKMWQDZYAHN-UHFFFAOYSA-N
XLogP2.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1H-indole-5-sulfonamide
CID 8027252
N-ethyl-2,3-dihydro-1H-indole-6-sulfonamide
CID 7312501
(S)-1-Methyl-2-(6-methylsulfanyl-2,3-dihydro-indol-1-yl)-ethylamine
CID 44315993
(S)-2-(6-Ethylsulfanyl-2,3-dihydro-indol-1-yl)-1-methyl-ethylamine
CID 44316027
N,N-Dimethylindoline-5-Sulfonamide
CID 2736127
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,3-dihydroindole-1-carbothioamide
CID 3383184
6-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonyl-2,3-dihydro-1H-indole
CID 44340897
2-Methyl-1-{[4-(methylthio)phenyl]sulfonyl}indoline
CID 2944511
2-Methyl-1-[(4-methylphenyl)sulfonyl]indoline
CID 4205010
5-(Methanesulfonyl)-2,3-dihydro-1H-indole
CID 2736136
N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 6502484
N,N-diethyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 7064087

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide?
The IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide (CID 112661678) is N-methyl-N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide.
What is the SMILES notation for N-methyl-N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide?
The canonical SMILES for N-methyl-N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide is CSCC(C)N(C)S(=O)(=O)c1ccc2c(c1)NCC2.
What is the InChIKey of N-methyl-N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide?
The InChIKey is HVRKKMWQDZYAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-10(9-18-3)15(2)19(16,17)12-5-4-11-6-7-14-13(11)8-12/h4-5,8,10,14H,6-7,9H2,1-3H3.
What are the key properties of N-methyl-N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide?
N-methyl-N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide has a molecular weight of 300.45 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide is sourced from PubChem (CID 112661678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).