3-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine

C10H22N2OS — CID 65233064

IUPAC3-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine
SMILESCC(C)C(CN)CN1CCS(=O)CC1
InChIInChI=1S/C10H22N2OS/c1-9(2)10(7-11)8-12-3-5-14(13)6-4-12/h9-10H,3-8,11H2,1-2H3
InChIKeyRNCCZXXZOFFPRX-UHFFFAOYSA-N
MW218.37 g/mol
LogP0.28
Rot. Bonds4

About 3-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine

3-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine (PubChem CID 65233064) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 3-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine
PubChem CID65233064
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name3-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine
SMILESCC(C)C(CN)CN1CCS(=O)CC1
InChIInChI=1S/C10H22N2OS/c1-9(2)10(7-11)8-12-3-5-14(13)6-4-12/h9-10H,3-8,11H2,1-2H3
InChIKeyRNCCZXXZOFFPRX-UHFFFAOYSA-N
XLogP0.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylbutan-1-amine
CID 65227874
3-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine
CID 65227933
4-(3-bromo-2-methylpropyl)-1,4-thiazinane 1-oxide
CID 64996346
1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine
CID 65227991
2-[(4-ethylpiperidin-1-yl)methyl]-3-methylbutan-1-amine
CID 65233237
ethyl 4-[2-(aminomethyl)-3-methylbutyl]piperazine-1-carboxylate
CID 107877808
3-methyl-2-(1,4-thiazepan-4-ylmethyl)butan-1-amine
CID 65233118
[1-[2-(aminomethyl)-3-methylbutyl]piperidin-4-yl]methanol
CID 107443355
1-[2-(aminomethyl)-3-methylbutyl]-1,4-diazepan-5-one
CID 107443415
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-3-methylbutan-1-amine
CID 65233248
2-(1-oxo-1,4-thiazinan-4-yl)ethanamine;dihydrochloride
CID 54595991
2-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3-methylbutan-1-amine
CID 65233273

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine?
The IUPAC name of 3-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine (CID 65233064) is 3-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine.
What is the SMILES notation for 3-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine?
The canonical SMILES for 3-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine is CC(C)C(CN)CN1CCS(=O)CC1.
What is the InChIKey of 3-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine?
The InChIKey is RNCCZXXZOFFPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-9(2)10(7-11)8-12-3-5-14(13)6-4-12/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 3-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine?
3-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine has a molecular weight of 218.37 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 65233064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).