1-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylbutan-2-ol

C15H24N2O3S — CID 102887348

IUPAC1-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylbutan-2-ol
SMILESCC1CS(=O)(=O)CCN1CCC(O)(CN)c1ccccc1
InChIInChI=1S/C15H24N2O3S/c1-13-11-21(19,20)10-9-17(13)8-7-15(18,12-16)14-5-3-2-4-6-14/h2-6,13,18H,7-12,16H2,1H3
InChIKeyJVDGKLGSTMCIDP-UHFFFAOYSA-N
MW312.43 g/mol
LogP0.34
Rot. Bonds5

About 1-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylbutan-2-ol

1-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylbutan-2-ol (PubChem CID 102887348) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 1-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylbutan-2-ol
PubChem CID102887348
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name1-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylbutan-2-ol
SMILESCC1CS(=O)(=O)CCN1CCC(O)(CN)c1ccccc1
InChIInChI=1S/C15H24N2O3S/c1-13-11-21(19,20)10-9-17(13)8-7-15(18,12-16)14-5-3-2-4-6-14/h2-6,13,18H,7-12,16H2,1H3
InChIKeyJVDGKLGSTMCIDP-UHFFFAOYSA-N
XLogP0.34
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Phenyl-1-[2-(toluene-4-sulfonyl)-ethyl]-piperidin-4-ol
CID 605481
4-(3-Methylsulfonylphenyl)-1-propylpiperidin-4-ol
CID 57810440
Diphenyl(thiomorpholin-3-yl)methanol--hydrogen chloride (1/1)
CID 16206230
N-(2-hydroxy-2-phenylpropyl)cyclohexanesulfonamide
CID 56765375
3-[(Dimethylamino)methyl]-4-phenylthian-4-ol
CID 4558249
Diphenyl(thiomorpholin-3-yl)methanol
CID 16206231
(4,4-Dimethyl-3-morpholin-4-yl-1,1-dioxothietan-2-yl)-diphenylmethanol
CID 12330793
(3R,4S)-3-[(dimethylamino)methyl]-4-phenylthian-4-ol
CID 827329
4-Phenyl-1-(3-(phenylsulfonyl)propyl)-4-piperidinol hydrochloride
CID 3030772
3-[4-(4-Fluorophenyl)-4-hydroxypiperidin-1-yl]propane-1-sulfonic acid
CID 11438502
2-[(1,1-Dioxothian-4-yl)amino]-1-(3-fluorophenyl)ethanol
CID 54937548
2-[(1,1-Dioxothian-4-yl)amino]-1-(4-fluorophenyl)ethanol
CID 54938098

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylbutan-2-ol?
The IUPAC name of 1-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylbutan-2-ol (CID 102887348) is 1-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylbutan-2-ol.
What is the SMILES notation for 1-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylbutan-2-ol?
The canonical SMILES for 1-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylbutan-2-ol is CC1CS(=O)(=O)CCN1CCC(O)(CN)c1ccccc1.
What is the InChIKey of 1-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylbutan-2-ol?
The InChIKey is JVDGKLGSTMCIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-13-11-21(19,20)10-9-17(13)8-7-15(18,12-16)14-5-3-2-4-6-14/h2-6,13,18H,7-12,16H2,1H3.
What are the key properties of 1-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylbutan-2-ol?
1-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylbutan-2-ol has a molecular weight of 312.43 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylbutan-2-ol is sourced from PubChem (CID 102887348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).