1-(1,1-dioxothian-3-yl)-4,5,6,7-tetrahydroindol-4-amine

C13H20N2O2S — CID 63922605

IUPAC1-(1,1-dioxothian-3-yl)-4,5,6,7-tetrahydroindol-4-amine
SMILESNC1CCCc2c1ccn2C1CCCS(=O)(=O)C1
InChIInChI=1S/C13H20N2O2S/c14-12-4-1-5-13-11(12)6-7-15(13)10-3-2-8-18(16,17)9-10/h6-7,10,12H,1-5,8-9,14H2
InChIKeyBUSSRHQZXMABGF-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.57
Rot. Bonds1

About 1-(1,1-dioxothian-3-yl)-4,5,6,7-tetrahydroindol-4-amine

1-(1,1-dioxothian-3-yl)-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 63922605) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(1,1-dioxothian-3-yl)-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-(1,1-dioxothian-3-yl)-4,5,6,7-tetrahydroindol-4-amine
PubChem CID63922605
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-(1,1-dioxothian-3-yl)-4,5,6,7-tetrahydroindol-4-amine
SMILESNC1CCCc2c1ccn2C1CCCS(=O)(=O)C1
InChIInChI=1S/C13H20N2O2S/c14-12-4-1-5-13-11(12)6-7-15(13)10-3-2-8-18(16,17)9-10/h6-7,10,12H,1-5,8-9,14H2
InChIKeyBUSSRHQZXMABGF-UHFFFAOYSA-N
XLogP1.57
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,1-dioxothian-3-yl)-2-sulfanylidenepyrimidin-4-one
CID 63922796
1-cyclobutyl-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 62415611
2-[3-(1,1-dioxothian-3-yl)imidazol-4-yl]ethanamine
CID 114720388
1-[3-(1,1-dioxothian-3-yl)imidazol-4-yl]ethanamine
CID 114706024
1-(1,1-dioxothian-3-yl)benzimidazole-5-carboxylic acid
CID 63924349
1-pyrimidin-2-yl-4,5,6,7-tetrahydroindol-4-amine
CID 114389245
3-[3-(1,1-dioxothian-3-yl)imidazol-4-yl]pyridin-2-amine
CID 114720389
1-(3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-amine
CID 63960650
4-bromo-1-(1,1-dioxothian-3-yl)pyrrole-2-carboxylic acid
CID 114605504
4-chloro-1-(1,1-dioxothian-3-yl)pyrazol-5-amine
CID 63921845
(1R)-1-[3-(1,1-dioxothiolan-3-yl)imidazol-4-yl]propan-1-amine
CID 104941648
1-(6-methylsulfanylhexyl)-4,5,6,7-tetrahydroindol-4-amine
CID 114125100

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-3-yl)-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-(1,1-dioxothian-3-yl)-4,5,6,7-tetrahydroindol-4-amine (CID 63922605) is 1-(1,1-dioxothian-3-yl)-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-(1,1-dioxothian-3-yl)-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-(1,1-dioxothian-3-yl)-4,5,6,7-tetrahydroindol-4-amine is NC1CCCc2c1ccn2C1CCCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothian-3-yl)-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is BUSSRHQZXMABGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c14-12-4-1-5-13-11(12)6-7-15(13)10-3-2-8-18(16,17)9-10/h6-7,10,12H,1-5,8-9,14H2.
What are the key properties of 1-(1,1-dioxothian-3-yl)-4,5,6,7-tetrahydroindol-4-amine?
1-(1,1-dioxothian-3-yl)-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 268.38 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-3-yl)-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 63922605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).