1-[3-(1-amino-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-N-methylmethanesulfonamide

C14H23N3O2S — CID 71210719

IUPAC1-[3-(1-amino-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc2c(c1)C(C(C)(C)CN)CN2
InChIInChI=1S/C14H23N3O2S/c1-14(2,9-15)12-7-17-13-5-4-10(6-11(12)13)8-20(18,19)16-3/h4-6,12,16-17H,7-9,15H2,1-3H3
InChIKeyQDGKLKXTUFLZAC-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.23
Rot. Bonds5

About 1-[3-(1-amino-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-N-methylmethanesulfonamide

1-[3-(1-amino-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-N-methylmethanesulfonamide (PubChem CID 71210719) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[3-(1-amino-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[3-(1-amino-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-N-methylmethanesulfonamide
PubChem CID71210719
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-[3-(1-amino-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc2c(c1)C(C(C)(C)CN)CN2
InChIInChI=1S/C14H23N3O2S/c1-14(2,9-15)12-7-17-13-5-4-10(6-11(12)13)8-20(18,19)16-3/h4-6,12,16-17H,7-9,15H2,1-3H3
InChIKeyQDGKLKXTUFLZAC-UHFFFAOYSA-N
XLogP1.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-4-tert-butylphenyl)-N-methylmethanesulfonamide
CID 139784459
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 10563906
1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide
CID 110170599
1-[4-(difluoromethyl)phenyl]-N-methylmethanesulfonamide
CID 126637013
N-methyl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 145265613
N-[1-(aminomethyl)-2-methylcyclohexyl]-1-(4-fluorophenyl)methanesulfonamide
CID 115308786
1-[4-(3-amino-5-oxo-1H-pyrazol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 135228971
2-methyl-1-[[4-(methylsulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110913551
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
CID 119988176
2-(5-chloro-2,3-dihydro-1H-indol-3-yl)propan-2-ol
CID 117202115
1-(3-hydroxyphenyl)-N-methylmethanesulfonamide
CID 170337441

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-amino-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[3-(1-amino-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-N-methylmethanesulfonamide (CID 71210719) is 1-[3-(1-amino-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[3-(1-amino-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[3-(1-amino-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-N-methylmethanesulfonamide is CNS(=O)(=O)Cc1ccc2c(c1)C(C(C)(C)CN)CN2.
What is the InChIKey of 1-[3-(1-amino-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-N-methylmethanesulfonamide?
The InChIKey is QDGKLKXTUFLZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-14(2,9-15)12-7-17-13-5-4-10(6-11(12)13)8-20(18,19)16-3/h4-6,12,16-17H,7-9,15H2,1-3H3.
What are the key properties of 1-[3-(1-amino-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-N-methylmethanesulfonamide?
1-[3-(1-amino-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-N-methylmethanesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-amino-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 71210719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).