N-[3-(4-methoxyphenyl)cyclobutyl]-1,1-dioxothiolan-3-amine

C15H21NO3S — CID 43632787

IUPACN-[3-(4-methoxyphenyl)cyclobutyl]-1,1-dioxothiolan-3-amine
SMILESCOc1ccc(C2CC(NC3CCS(=O)(=O)C3)C2)cc1
InChIInChI=1S/C15H21NO3S/c1-19-15-4-2-11(3-5-15)12-8-14(9-12)16-13-6-7-20(17,18)10-13/h2-5,12-14,16H,6-10H2,1H3
InChIKeyLSCKNPPCMJHAND-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.72
Rot. Bonds4

About N-[3-(4-methoxyphenyl)cyclobutyl]-1,1-dioxothiolan-3-amine

N-[3-(4-methoxyphenyl)cyclobutyl]-1,1-dioxothiolan-3-amine (PubChem CID 43632787) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)cyclobutyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)cyclobutyl]-1,1-dioxothiolan-3-amine
PubChem CID43632787
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN-[3-(4-methoxyphenyl)cyclobutyl]-1,1-dioxothiolan-3-amine
SMILESCOc1ccc(C2CC(NC3CCS(=O)(=O)C3)C2)cc1
InChIInChI=1S/C15H21NO3S/c1-19-15-4-2-11(3-5-15)12-8-14(9-12)16-13-6-7-20(17,18)10-13/h2-5,12-14,16H,6-10H2,1H3
InChIKeyLSCKNPPCMJHAND-UHFFFAOYSA-N
XLogP1.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-methoxyphenyl)cyclobutyl]cyclooctanamine
CID 43633186
(3R)-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 2449451
N-[3-(4-methoxyphenyl)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43679928
N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxothiolan-3-amine
CID 79366111
N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide
CID 17013970
3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one
CID 62092299
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-methoxyphenyl)thiourea
CID 40785237
N-(1,1-dioxothiolan-3-yl)-N'-(4-methoxyphenyl)oxamide
CID 108502630
N-(2-ethylcyclopropyl)-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 114107711
N-[(2,4-dimethoxyphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 43177543
N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine
CID 106503952
(E)-N-(1,1-dioxothiolan-3-yl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 17466276

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)cyclobutyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[3-(4-methoxyphenyl)cyclobutyl]-1,1-dioxothiolan-3-amine (CID 43632787) is N-[3-(4-methoxyphenyl)cyclobutyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[3-(4-methoxyphenyl)cyclobutyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[3-(4-methoxyphenyl)cyclobutyl]-1,1-dioxothiolan-3-amine is COc1ccc(C2CC(NC3CCS(=O)(=O)C3)C2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)cyclobutyl]-1,1-dioxothiolan-3-amine?
The InChIKey is LSCKNPPCMJHAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-19-15-4-2-11(3-5-15)12-8-14(9-12)16-13-6-7-20(17,18)10-13/h2-5,12-14,16H,6-10H2,1H3.
What are the key properties of N-[3-(4-methoxyphenyl)cyclobutyl]-1,1-dioxothiolan-3-amine?
N-[3-(4-methoxyphenyl)cyclobutyl]-1,1-dioxothiolan-3-amine has a molecular weight of 295.40 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)cyclobutyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43632787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).