1-(3-chlorophenyl)-N-ethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine

C15H23ClN2OS — CID 62630652

IUPAC1-(3-chlorophenyl)-N-ethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
SMILESCCNC(CCN1CCS(=O)CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2OS/c1-2-17-15(13-4-3-5-14(16)12-13)6-7-18-8-10-20(19)11-9-18/h3-5,12,15,17H,2,6-11H2,1H3
InChIKeyZAHAQSBJCBGOIZ-UHFFFAOYSA-N
MW314.88 g/mol
LogP2.44
Rot. Bonds6

About 1-(3-chlorophenyl)-N-ethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine

1-(3-chlorophenyl)-N-ethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine (PubChem CID 62630652) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-ethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-ethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
PubChem CID62630652
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC Name1-(3-chlorophenyl)-N-ethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
SMILESCCNC(CCN1CCS(=O)CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2OS/c1-2-17-15(13-4-3-5-14(16)12-13)6-7-18-8-10-20(19)11-9-18/h3-5,12,15,17H,2,6-11H2,1H3
InChIKeyZAHAQSBJCBGOIZ-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine
CID 103538970
4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol
CID 69402715
1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 62628581
1-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)-N-propylpropan-1-amine
CID 62643827
1-(3-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 115415473
1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 55094941
1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine
CID 63412580
1-(3-chlorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 115811982
1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 60924589
1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62630766
1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105106501
1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63891305

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-ethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-ethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine (CID 62630652) is 1-(3-chlorophenyl)-N-ethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-ethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-ethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine is CCNC(CCN1CCS(=O)CC1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-ethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine?
The InChIKey is ZAHAQSBJCBGOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2OS/c1-2-17-15(13-4-3-5-14(16)12-13)6-7-18-8-10-20(19)11-9-18/h3-5,12,15,17H,2,6-11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-ethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine?
1-(3-chlorophenyl)-N-ethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine has a molecular weight of 314.88 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-ethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine is sourced from PubChem (CID 62630652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).