1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine

C14H21NO3S — CID 43693787

IUPAC1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine
SMILESCCCOc1cccc(NC2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C14H21NO3S/c1-2-8-18-14-5-3-4-13(11-14)15-12-6-9-19(16,17)10-7-12/h3-5,11-12,15H,2,6-10H2,1H3
InChIKeyFTVSSPRAMLQZDG-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.46
Rot. Bonds5

About 1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine

1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine (PubChem CID 43693787) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine
PubChem CID43693787
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine
SMILESCCCOc1cccc(NC2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C14H21NO3S/c1-2-8-18-14-5-3-4-13(11-14)15-12-6-9-19(16,17)10-7-12/h3-5,11-12,15H,2,6-10H2,1H3
InChIKeyFTVSSPRAMLQZDG-UHFFFAOYSA-N
XLogP2.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dioxo-N-(3-propoxyphenyl)thian-3-amine
CID 63909303
3-N-(1,1-dioxothian-4-yl)-5-propoxybenzene-1,3-diamine
CID 80730541
3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64753647
N-(3-propoxyphenyl)azepan-4-amine
CID 103981177
N-(3-ethylcyclopentyl)-3-propoxyaniline
CID 64501066
1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine
CID 79458462
N-cyclopropyl-3-(2-methoxyethoxy)aniline
CID 103439187
N-(3-phenylcyclobutyl)-3-propoxyaniline
CID 43693771
N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine
CID 54864785
3-propoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758477
N-(2,3-dimethylcyclohexyl)-3-propoxyaniline
CID 64761419
tert-butyl N-[3-(3-propoxyanilino)cyclobutyl]carbamate
CID 103759438

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine?
The IUPAC name of 1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine (CID 43693787) is 1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine.
What is the SMILES notation for 1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine?
The canonical SMILES for 1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine is CCCOc1cccc(NC2CCS(=O)(=O)CC2)c1.
What is the InChIKey of 1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine?
The InChIKey is FTVSSPRAMLQZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-2-8-18-14-5-3-4-13(11-14)15-12-6-9-19(16,17)10-7-12/h3-5,11-12,15H,2,6-10H2,1H3.
What are the key properties of 1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine?
1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine has a molecular weight of 283.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine is sourced from PubChem (CID 43693787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).