N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxothiolan-3-amine

C14H19NO3S — CID 79366111

IUPACN-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxothiolan-3-amine
SMILESCOc1ccc2c(c1)C(NC1CCS(=O)(=O)C1)CC2
InChIInChI=1S/C14H19NO3S/c1-18-12-4-2-10-3-5-14(13(10)8-12)15-11-6-7-19(16,17)9-11/h2,4,8,11,14-15H,3,5-7,9H2,1H3
InChIKeyHJXGUJBMUVHJLN-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.46
Rot. Bonds3

About N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxothiolan-3-amine

N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxothiolan-3-amine (PubChem CID 79366111) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxothiolan-3-amine
PubChem CID79366111
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxothiolan-3-amine
SMILESCOc1ccc2c(c1)C(NC1CCS(=O)(=O)C1)CC2
InChIInChI=1S/C14H19NO3S/c1-18-12-4-2-10-3-5-14(13(10)8-12)15-11-6-7-19(16,17)9-11/h2,4,8,11,14-15H,3,5-7,9H2,1H3
InChIKeyHJXGUJBMUVHJLN-UHFFFAOYSA-N
XLogP1.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 79366146
6-methoxy-N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-amine
CID 104584581
6-methoxy-N-(3-methoxycyclopentyl)-2,3-dihydro-1H-inden-1-amine
CID 103082978
N-cyclohex-3-en-1-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367336
N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369352
N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239587
6-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)-2,3-dihydro-1H-inden-1-amine
CID 79374307
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,1-dioxothian-3-amine
CID 115510532
N-cyclohexyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239408
N-[3-(4-methoxyphenyl)cyclobutyl]-1,1-dioxothiolan-3-amine
CID 43632787
6-methoxy-N-(2-methoxycyclopentyl)-2,3-dihydro-1H-inden-1-amine
CID 79367052

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxothiolan-3-amine (CID 79366111) is N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxothiolan-3-amine is COc1ccc2c(c1)C(NC1CCS(=O)(=O)C1)CC2.
What is the InChIKey of N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxothiolan-3-amine?
The InChIKey is HJXGUJBMUVHJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-18-12-4-2-10-3-5-14(13(10)8-12)15-11-6-7-19(16,17)9-11/h2,4,8,11,14-15H,3,5-7,9H2,1H3.
What are the key properties of N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxothiolan-3-amine?
N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxothiolan-3-amine has a molecular weight of 281.38 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 79366111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).