N-[[3,5-dichloro-2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]propan-2-amine

C14H19Cl2NO3S — CID 61057783

IUPACN-[[3,5-dichloro-2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Cl)cc(Cl)c1OC1CCS(=O)(=O)C1
InChIInChI=1S/C14H19Cl2NO3S/c1-9(2)17-7-10-5-11(15)6-13(16)14(10)20-12-3-4-21(18,19)8-12/h5-6,9,12,17H,3-4,7-8H2,1-2H3
InChIKeyRZQNMXPOCWKHTD-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.06
Rot. Bonds5

About N-[[3,5-dichloro-2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]propan-2-amine

N-[[3,5-dichloro-2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]propan-2-amine (PubChem CID 61057783) has the molecular formula C14H19Cl2NO3S and a molecular weight of 352.28 g/mol. Its IUPAC name is N-[[3,5-dichloro-2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3,5-dichloro-2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]propan-2-amine
PubChem CID61057783
Molecular FormulaC14H19Cl2NO3S
Molecular Weight352.28 g/mol
Exact Mass351.05
IUPAC NameN-[[3,5-dichloro-2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Cl)cc(Cl)c1OC1CCS(=O)(=O)C1
InChIInChI=1S/C14H19Cl2NO3S/c1-9(2)17-7-10-5-11(15)6-13(16)14(10)20-12-3-4-21(18,19)8-12/h5-6,9,12,17H,3-4,7-8H2,1-2H3
InChIKeyRZQNMXPOCWKHTD-UHFFFAOYSA-N
XLogP3.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3,5-dichloro-2-(cyclopentylmethoxy)phenyl]methyl]propan-2-amine
CID 63499376
N-[(3,5-dichloro-2-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43515840
N-[(3,5-dichloro-2-cyclohexyloxyphenyl)methyl]-2-methylpropan-1-amine
CID 63486026
N-cyclopropyl-2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43515834
1-[3-chloro-4-(1,1-dioxothiolan-3-yl)oxy-5-methoxyphenyl]propan-2-amine
CID 61057801
N-[[3,5-dichloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43515830
3-[4-(bromomethyl)-2-chloro-6-methoxyphenoxy]thiolane 1,1-dioxide
CID 54914834
N-[[5-chloro-3-methoxy-2-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 104664869
N-[(3,5-dichloro-2-pentan-2-yloxyphenyl)methyl]propan-2-amine
CID 107890855
N-[[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 60887324
N-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 115954562
N-[(2-but-2-ynoxy-3,5-dichlorophenyl)methyl]propan-2-amine
CID 55057886

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3,5-dichloro-2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]propan-2-amine (CID 61057783) is N-[[3,5-dichloro-2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3,5-dichloro-2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3,5-dichloro-2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]propan-2-amine is CC(C)NCc1cc(Cl)cc(Cl)c1OC1CCS(=O)(=O)C1.
What is the InChIKey of N-[[3,5-dichloro-2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]propan-2-amine?
The InChIKey is RZQNMXPOCWKHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3S/c1-9(2)17-7-10-5-11(15)6-13(16)14(10)20-12-3-4-21(18,19)8-12/h5-6,9,12,17H,3-4,7-8H2,1-2H3.
What are the key properties of N-[[3,5-dichloro-2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]propan-2-amine?
N-[[3,5-dichloro-2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]propan-2-amine has a molecular weight of 352.28 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-2-(1,1-dioxothiolan-3-yl)oxyphenyl]methyl]propan-2-amine is sourced from PubChem (CID 61057783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).