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

C12H25N3O3S — CID 102886196

IUPAC2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanamide
SMILESCCCNC(C)(CN1CCS(=O)(=O)CC1C)C(N)=O
InChIInChI=1S/C12H25N3O3S/c1-4-5-14-12(3,11(13)16)9-15-6-7-19(17,18)8-10(15)2/h10,14H,4-9H2,1-3H3,(H2,13,16)
InChIKeyZQQSGZZXYMOYKH-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.65
Rot. Bonds6

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

2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanamide (PubChem CID 102886196) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanamide.

Molecular Properties

Compound Name2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanamide
PubChem CID102886196
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanamide
SMILESCCCNC(C)(CN1CCS(=O)(=O)CC1C)C(N)=O
InChIInChI=1S/C12H25N3O3S/c1-4-5-14-12(3,11(13)16)9-15-6-7-19(17,18)8-10(15)2/h10,14H,4-9H2,1-3H3,(H2,13,16)
InChIKeyZQQSGZZXYMOYKH-UHFFFAOYSA-N
XLogP-0.65
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.65
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)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-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanamide
CID 102886110
2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentan-1-ol
CID 102887298
2-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(propylamino)propanamide
CID 79943230
N-tert-butyl-2-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-1-amine
CID 102886565
2-methyl-2-(propylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanamide
CID 114539368
2-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-1-ol
CID 102886657
N-tert-butyl-2-ethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]butan-1-amine
CID 102886502
methyl 2-cyclopropyl-2-(ethylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 102886205
N,2-diethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]butan-1-amine
CID 102886526
2-amino-2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 102887301

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanamide?
The IUPAC name of 2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanamide (CID 102886196) is 2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanamide.
What is the SMILES notation for 2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanamide?
The canonical SMILES for 2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanamide is CCCNC(C)(CN1CCS(=O)(=O)CC1C)C(N)=O.
What is the InChIKey of 2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanamide?
The InChIKey is ZQQSGZZXYMOYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-4-5-14-12(3,11(13)16)9-15-6-7-19(17,18)8-10(15)2/h10,14H,4-9H2,1-3H3,(H2,13,16).
What are the key properties of 2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanamide?
2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanamide has a molecular weight of 291.42 g/mol, XLogP of -0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanamide is sourced from PubChem (CID 102886196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).