2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanamide

C14H29N3O3S — CID 102886110

IUPAC2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanamide
SMILESCCCNC(C)(CC(C)N1CCS(=O)(=O)CC1C)C(N)=O
InChIInChI=1S/C14H29N3O3S/c1-5-6-16-14(4,13(15)18)9-11(2)17-7-8-21(19,20)10-12(17)3/h11-12,16H,5-10H2,1-4H3,(H2,15,18)
InChIKeyIVIMFLDBHLPXMV-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.13
Rot. Bonds7

About 2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanamide

2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanamide (PubChem CID 102886110) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is 2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanamide.

Molecular Properties

Compound Name2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanamide
PubChem CID102886110
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC Name2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanamide
SMILESCCCNC(C)(CC(C)N1CCS(=O)(=O)CC1C)C(N)=O
InChIInChI=1S/C14H29N3O3S/c1-5-6-16-14(4,13(15)18)9-11(2)17-7-8-21(19,20)10-12(17)3/h11-12,16H,5-10H2,1-4H3,(H2,15,18)
InChIKeyIVIMFLDBHLPXMV-UHFFFAOYSA-N
XLogP0.13
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanamide
CID 102886196
4-(2-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 64727643
4-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 104691662
2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanoic acid
CID 102886138
ethyl 2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanoate
CID 102886211
2-methyl-2-(methylamino)-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol
CID 102887307
2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentanenitrile
CID 102886069
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 130503167
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 102886028
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
CID 102882868
ethyl 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate
CID 102884445
4-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoic acid
CID 64726316

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanamide?
The IUPAC name of 2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanamide (CID 102886110) is 2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanamide.
What is the SMILES notation for 2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanamide?
The canonical SMILES for 2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanamide is CCCNC(C)(CC(C)N1CCS(=O)(=O)CC1C)C(N)=O.
What is the InChIKey of 2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanamide?
The InChIKey is IVIMFLDBHLPXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-5-6-16-14(4,13(15)18)9-11(2)17-7-8-21(19,20)10-12(17)3/h11-12,16H,5-10H2,1-4H3,(H2,15,18).
What are the key properties of 2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanamide?
2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanamide has a molecular weight of 319.47 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanamide is sourced from PubChem (CID 102886110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).