N-[[4-bromo-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-2-amine

C15H23BrN2O2S — CID 102884920

IUPACN-[[4-bromo-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Br)cc1N1CCS(=O)(=O)CC1C
InChIInChI=1S/C15H23BrN2O2S/c1-11(2)17-9-13-4-5-14(16)8-15(13)18-6-7-21(19,20)10-12(18)3/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3
InChIKeyHCOJJCXKXWMMCZ-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.57
Rot. Bonds4

About N-[[4-bromo-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-2-amine

N-[[4-bromo-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-2-amine (PubChem CID 102884920) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is N-[[4-bromo-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-bromo-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-2-amine
PubChem CID102884920
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC NameN-[[4-bromo-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Br)cc1N1CCS(=O)(=O)CC1C
InChIInChI=1S/C15H23BrN2O2S/c1-11(2)17-9-13-4-5-14(16)8-15(13)18-6-7-21(19,20)10-12(18)3/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3
InChIKeyHCOJJCXKXWMMCZ-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-bromo-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-2-amine with MolForge

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Related Compounds

[4-bromo-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanamine
CID 102882649
N-[[3-fluoro-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-2-amine
CID 102884919
N-[[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43280393
N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine
CID 102884896
4-[2-(bromomethyl)-4-fluorophenyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 107085438
1-[3-bromo-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-methylethanamine
CID 102883963
[1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol
CID 43281531
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-bromophenyl]methyl]propan-2-amine
CID 79929693
[5-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methanol
CID 102884600
(1S)-1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanol
CID 102884577
N-[[3-bromo-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methyl]propan-2-amine
CID 102769808
(1S)-1-[3-fluoro-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanol
CID 102884592

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-bromo-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-2-amine (CID 102884920) is N-[[4-bromo-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-bromo-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-bromo-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(Br)cc1N1CCS(=O)(=O)CC1C.
What is the InChIKey of N-[[4-bromo-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-2-amine?
The InChIKey is HCOJJCXKXWMMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-11(2)17-9-13-4-5-14(16)8-15(13)18-6-7-21(19,20)10-12(18)3/h4-5,8,11-12,17H,6-7,9-10H2,1-3H3.
What are the key properties of N-[[4-bromo-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-2-amine?
N-[[4-bromo-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-2-amine has a molecular weight of 375.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 102884920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).