N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1,1-dioxothiolan-3-amine

C14H20N2O2S — CID 80567207

IUPACN-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CC1CNc2ccccc21)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H20N2O2S/c1-16(12-6-7-19(17,18)10-12)9-11-8-15-14-5-3-2-4-13(11)14/h2-5,11-12,15H,6-10H2,1H3
InChIKeySPZRYBZVPKEHQT-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.31
Rot. Bonds3

About N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1,1-dioxothiolan-3-amine

N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 80567207) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID80567207
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CC1CNc2ccccc21)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H20N2O2S/c1-16(12-6-7-19(17,18)10-12)9-11-8-15-14-5-3-2-4-13(11)14/h2-5,11-12,15H,6-10H2,1H3
InChIKeySPZRYBZVPKEHQT-UHFFFAOYSA-N
XLogP1.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 80573852
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine
CID 80567242
N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356032
N'-(2,3-dihydro-1H-indol-3-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine
CID 80566631
2-(2,3-dihydro-1H-indol-3-yl)-N-(1,1-dioxothian-3-yl)acetamide
CID 80572389
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylpentan-1-amine
CID 80567043
N-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-N-methylaniline
CID 80566627
3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]oxan-4-one
CID 103057738
N-methyl-N-(1,2,3,4-tetrahydroquinolin-4-ylmethyl)oxolan-3-amine
CID 82739453
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
CID 83020755
(3S)-N-methyl-1,1-dioxo-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
CID 99939311
2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-(oxolan-3-yl)acetamide
CID 82738126

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1,1-dioxothiolan-3-amine (CID 80567207) is N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1,1-dioxothiolan-3-amine is CN(CC1CNc2ccccc21)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is SPZRYBZVPKEHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-16(12-6-7-19(17,18)10-12)9-11-8-15-14-5-3-2-4-13(11)14/h2-5,11-12,15H,6-10H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1,1-dioxothiolan-3-amine?
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 280.39 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 80567207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).