N-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-prop-2-enylsulfonylmethanamine

C19H27N3O2S — CID 174270352

IUPACN-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-prop-2-enylsulfonylmethanamine
SMILESC=CCS(=O)(=O)C(NC)c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
InChIInChI=1S/C19H27N3O2S/c1-4-10-25(23,24)19(20-2)14-7-8-18-17(12-14)15(13-21-18)11-16-6-5-9-22(16)3/h4,7-8,12-13,16,19-21H,1,5-6,9-11H2,2-3H3/t16-,19?/m1/s1
InChIKeyZTMYRVTWHMCAGZ-VTBWFHPJSA-N
MW361.51 g/mol
LogP2.62
Rot. Bonds7

About N-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-prop-2-enylsulfonylmethanamine

N-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-prop-2-enylsulfonylmethanamine (PubChem CID 174270352) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-prop-2-enylsulfonylmethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-prop-2-enylsulfonylmethanamine
PubChem CID174270352
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-prop-2-enylsulfonylmethanamine
SMILESC=CCS(=O)(=O)C(NC)c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
InChIInChI=1S/C19H27N3O2S/c1-4-10-25(23,24)19(20-2)14-7-8-18-17(12-14)15(13-21-18)11-16-6-5-9-22(16)3/h4,7-8,12-13,16,19-21H,1,5-6,9-11H2,2-3H3/t16-,19?/m1/s1
InChIKeyZTMYRVTWHMCAGZ-VTBWFHPJSA-N
XLogP2.62
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methylamino-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]methanesulfinate
CID 70284129
N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide
CID 163863896
N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-4-propan-2-ylbenzenesulfonamide
CID 11177383
5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 10220397
5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 15521562
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine
CID 59715791
5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 54476619
5-(2-ethylsulfonylethyl)-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 19970230
1-[2-(benzenesulfonyl)-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethyl]-5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole
CID 163480743
2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide
CID 15840027
3,4-dichloro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11419238
5-[2-(4-methylphenyl)sulfonylethenyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 67692097

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-prop-2-enylsulfonylmethanamine?
The IUPAC name of N-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-prop-2-enylsulfonylmethanamine (CID 174270352) is N-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-prop-2-enylsulfonylmethanamine.
What is the SMILES notation for N-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-prop-2-enylsulfonylmethanamine?
The canonical SMILES for N-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-prop-2-enylsulfonylmethanamine is C=CCS(=O)(=O)C(NC)c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1.
What is the InChIKey of N-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-prop-2-enylsulfonylmethanamine?
The InChIKey is ZTMYRVTWHMCAGZ-VTBWFHPJSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-4-10-25(23,24)19(20-2)14-7-8-18-17(12-14)15(13-21-18)11-16-6-5-9-22(16)3/h4,7-8,12-13,16,19-21H,1,5-6,9-11H2,2-3H3/t16-,19?/m1/s1.
What are the key properties of N-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-prop-2-enylsulfonylmethanamine?
N-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-prop-2-enylsulfonylmethanamine has a molecular weight of 361.51 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-prop-2-enylsulfonylmethanamine is sourced from PubChem (CID 174270352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).