N-ethyl-N-[(5-methoxy-2H-indazol-3-yl)methyl]-1,1-dioxothiolan-3-amine

C15H21N3O3S — CID 70714676

IUPACN-ethyl-N-[(5-methoxy-2H-indazol-3-yl)methyl]-1,1-dioxothiolan-3-amine
SMILESCCN(Cc1[nH]nc2ccc(OC)cc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H21N3O3S/c1-3-18(11-6-7-22(19,20)10-11)9-15-13-8-12(21-2)4-5-14(13)16-17-15/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,16,17)
InChIKeyVZPOOWDRUZUMQS-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.58
Rot. Bonds5

About N-ethyl-N-[(5-methoxy-2H-indazol-3-yl)methyl]-1,1-dioxothiolan-3-amine

N-ethyl-N-[(5-methoxy-2H-indazol-3-yl)methyl]-1,1-dioxothiolan-3-amine (PubChem CID 70714676) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-ethyl-N-[(5-methoxy-2H-indazol-3-yl)methyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[(5-methoxy-2H-indazol-3-yl)methyl]-1,1-dioxothiolan-3-amine
PubChem CID70714676
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-ethyl-N-[(5-methoxy-2H-indazol-3-yl)methyl]-1,1-dioxothiolan-3-amine
SMILESCCN(Cc1[nH]nc2ccc(OC)cc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H21N3O3S/c1-3-18(11-6-7-22(19,20)10-11)9-15-13-8-12(21-2)4-5-14(13)16-17-15/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,16,17)
InChIKeyVZPOOWDRUZUMQS-UHFFFAOYSA-N
XLogP1.58
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-7-methoxynaphthalen-2-ol
CID 51322615
N-[(4-methoxy-2-pyridinyl)methyl]-1,1-dioxo-N-propylthiolan-3-amine
CID 75385897
N-[(3R)-1,1-dioxothiolan-3-yl]-7-methoxy-N-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 7749314
2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-methoxyphenol
CID 82981858
(5R)-3-[[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 9242313
(5S)-3-[[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 9242321
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxybenzamide
CID 18155646
(3S)-N-[(4-aminophenyl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine
CID 93463712
1-N-(1,1-dioxothiolan-3-yl)-1-N-[(4-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine
CID 120847480
N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 55446420
(3R)-N-[(2-chlorophenyl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine
CID 129370050
3-[[(1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 77095376

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-methoxy-2H-indazol-3-yl)methyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-ethyl-N-[(5-methoxy-2H-indazol-3-yl)methyl]-1,1-dioxothiolan-3-amine (CID 70714676) is N-ethyl-N-[(5-methoxy-2H-indazol-3-yl)methyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-ethyl-N-[(5-methoxy-2H-indazol-3-yl)methyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-ethyl-N-[(5-methoxy-2H-indazol-3-yl)methyl]-1,1-dioxothiolan-3-amine is CCN(Cc1[nH]nc2ccc(OC)cc12)C1CCS(=O)(=O)C1.
What is the InChIKey of N-ethyl-N-[(5-methoxy-2H-indazol-3-yl)methyl]-1,1-dioxothiolan-3-amine?
The InChIKey is VZPOOWDRUZUMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-3-18(11-6-7-22(19,20)10-11)9-15-13-8-12(21-2)4-5-14(13)16-17-15/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-N-[(5-methoxy-2H-indazol-3-yl)methyl]-1,1-dioxothiolan-3-amine?
N-ethyl-N-[(5-methoxy-2H-indazol-3-yl)methyl]-1,1-dioxothiolan-3-amine has a molecular weight of 323.42 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-methoxy-2H-indazol-3-yl)methyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 70714676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).