1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-3-methylbutan-1-one;N-methylmethanamine

C16H33N3O3S — CID 145317071

IUPAC1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-3-methylbutan-1-one;N-methylmethanamine
SMILESCC(C)CC(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1.CNC
InChIInChI=1S/C14H26N2O3S.C2H7N/c1-12(2)11-14(17)16-5-3-13(4-6-16)15-7-9-20(18,19)10-8-15;1-3-2/h12-13H,3-11H2,1-2H3;3H,1-2H3
InChIKeyBYAJOSFKPIGFAC-UHFFFAOYSA-N
MW347.53 g/mol
LogP0.59
Rot. Bonds3

About 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-3-methylbutan-1-one;N-methylmethanamine

1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-3-methylbutan-1-one;N-methylmethanamine (PubChem CID 145317071) has the molecular formula C16H33N3O3S and a molecular weight of 347.53 g/mol. Its IUPAC name is 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-3-methylbutan-1-one;N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-3-methylbutan-1-one;N-methylmethanamine
PubChem CID145317071
Molecular FormulaC16H33N3O3S
Molecular Weight347.53 g/mol
Exact Mass347.22
IUPAC Name1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-3-methylbutan-1-one;N-methylmethanamine
SMILESCC(C)CC(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1.CNC
InChIInChI=1S/C14H26N2O3S.C2H7N/c1-12(2)11-14(17)16-5-3-13(4-6-16)15-7-9-20(18,19)10-8-15;1-3-2/h12-13H,3-11H2,1-2H3;3H,1-2H3
InChIKeyBYAJOSFKPIGFAC-UHFFFAOYSA-N
XLogP0.59
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-3-methylbutan-1-one;N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 3431379
CID 3431379
CID 80516032
CID 80516032
CID 80519403
CID 80519403
CID 3328588
CID 3328588
CID 3451176
CID 3451176
CID 3625506
CID 3625506
CID 3636218
CID 3636218
CID 3686343
CID 3686343
CID 4066553
CID 4066553
CID 4088110
CID 4088110
CID 4097373
CID 4097373
CID 4144689
CID 4144689

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-3-methylbutan-1-one;N-methylmethanamine?
The IUPAC name of 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-3-methylbutan-1-one;N-methylmethanamine (CID 145317071) is 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-3-methylbutan-1-one;N-methylmethanamine.
What is the SMILES notation for 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-3-methylbutan-1-one;N-methylmethanamine?
The canonical SMILES for 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-3-methylbutan-1-one;N-methylmethanamine is CC(C)CC(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1.CNC.
What is the InChIKey of 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-3-methylbutan-1-one;N-methylmethanamine?
The InChIKey is BYAJOSFKPIGFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S.C2H7N/c1-12(2)11-14(17)16-5-3-13(4-6-16)15-7-9-20(18,19)10-8-15;1-3-2/h12-13H,3-11H2,1-2H3;3H,1-2H3.
What are the key properties of 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-3-methylbutan-1-one;N-methylmethanamine?
1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-3-methylbutan-1-one;N-methylmethanamine has a molecular weight of 347.53 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-3-methylbutan-1-one;N-methylmethanamine is sourced from PubChem (CID 145317071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).