1-[3-[2-[bis(tritritiomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide

C14H21N3O2S — CID 53325948

IUPAC1-[3-[2-[bis(tritritiomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
SMILES[3H]C([3H])([3H])N(CCc1c[nH]c2ccc(CS(=O)(=O)NC)cc12)C([3H])([3H])[3H]
InChIInChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3/i2T3,3T3
InChIKeyKQKPFRSPSRPDEB-KERYDJPLSA-N
MW307.46 g/mol
LogP1.32
Rot. Bonds8

About 1-[3-[2-[bis(tritritiomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide

1-[3-[2-[bis(tritritiomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide (PubChem CID 53325948) has the molecular formula C14H21N3O2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 1-[3-[2-[bis(tritritiomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[3-[2-[bis(tritritiomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
PubChem CID53325948
Molecular FormulaC14H21N3O2S
Molecular Weight307.46 g/mol
Exact Mass307.18
IUPAC Name1-[3-[2-[bis(tritritiomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
SMILES[3H]C([3H])([3H])N(CCc1c[nH]c2ccc(CS(=O)(=O)NC)cc12)C([3H])([3H])[3H]
InChIInChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3/i2T3,3T3
InChIKeyKQKPFRSPSRPDEB-KERYDJPLSA-N
XLogP1.32
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[bis(tritritiomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[3-[2-[bis(tritritiomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide (CID 53325948) is 1-[3-[2-[bis(tritritiomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[3-[2-[bis(tritritiomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[3-[2-[bis(tritritiomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide is [3H]C([3H])([3H])N(CCc1c[nH]c2ccc(CS(=O)(=O)NC)cc12)C([3H])([3H])[3H].
What is the InChIKey of 1-[3-[2-[bis(tritritiomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide?
The InChIKey is KQKPFRSPSRPDEB-KERYDJPLSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3/i2T3,3T3.
What are the key properties of 1-[3-[2-[bis(tritritiomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide?
1-[3-[2-[bis(tritritiomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide has a molecular weight of 307.46 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[bis(tritritiomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 53325948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).