1-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)-N-propylpropan-1-amine

C16H25ClN2OS — CID 62643827

IUPAC1-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCN1CCS(=O)CC1)c1ccccc1Cl
InChIInChI=1S/C16H25ClN2OS/c1-2-8-18-16(14-5-3-4-6-15(14)17)7-9-19-10-12-21(20)13-11-19/h3-6,16,18H,2,7-13H2,1H3
InChIKeyXIGLYFNXSYMDTC-UHFFFAOYSA-N
MW328.91 g/mol
LogP2.84
Rot. Bonds7

About 1-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)-N-propylpropan-1-amine

1-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)-N-propylpropan-1-amine (PubChem CID 62643827) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)-N-propylpropan-1-amine
PubChem CID62643827
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC Name1-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCN1CCS(=O)CC1)c1ccccc1Cl
InChIInChI=1S/C16H25ClN2OS/c1-2-8-18-16(14-5-3-4-6-15(14)17)7-9-19-10-12-21(20)13-11-19/h3-6,16,18H,2,7-13H2,1H3
InChIKeyXIGLYFNXSYMDTC-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine
CID 62645138
1-(4-bromo-2-chlorophenyl)-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
CID 82779326
1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine
CID 63655900
1-(3-chlorophenyl)-N-ethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
CID 62630652
N-[1-(2-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 115415648
1-(2-chlorophenyl)-N-ethyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 62643356
1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63484292
1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62643771
1-[3-(2-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol
CID 62630911
1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105099934
1-[3-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-ol
CID 114682044
N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine
CID 63412426

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)-N-propylpropan-1-amine (CID 62643827) is 1-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)-N-propylpropan-1-amine is CCCNC(CCN1CCS(=O)CC1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)-N-propylpropan-1-amine?
The InChIKey is XIGLYFNXSYMDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2OS/c1-2-8-18-16(14-5-3-4-6-15(14)17)7-9-19-10-12-21(20)13-11-19/h3-6,16,18H,2,7-13H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)-N-propylpropan-1-amine?
1-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)-N-propylpropan-1-amine has a molecular weight of 328.91 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 62643827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).