[1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclobutyl]methanamine

C10H20N2OS — CID 115448951

IUPAC[1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclobutyl]methanamine
SMILESNCC1(CN2CCS(=O)CC2)CCC1
InChIInChI=1S/C10H20N2OS/c11-8-10(2-1-3-10)9-12-4-6-14(13)7-5-12/h1-9,11H2
InChIKeyRZMFYXIQVJPOJY-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.18
Rot. Bonds3

About [1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclobutyl]methanamine

[1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclobutyl]methanamine (PubChem CID 115448951) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is [1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclobutyl]methanamine
PubChem CID115448951
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name[1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclobutyl]methanamine
SMILESNCC1(CN2CCS(=O)CC2)CCC1
InChIInChI=1S/C10H20N2OS/c11-8-10(2-1-3-10)9-12-4-6-14(13)7-5-12/h1-9,11H2
InChIKeyRZMFYXIQVJPOJY-UHFFFAOYSA-N
XLogP0.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanamine
CID 62391156
[1-(azepan-1-ylmethyl)cyclobutyl]methanamine
CID 82171578
[1-(pyrrolidin-1-ylmethyl)cyclopentyl]methanamine
CID 62261664
[1-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexyl]methanamine
CID 63159912
[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methanol
CID 62392754
4-[(4-ethylpiperidin-4-yl)methyl]-1,4-thiazinane 1-oxide
CID 63129878
[1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine
CID 79170228
[1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclobutyl]methanamine
CID 115449029
1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclobutan-1-amine
CID 79844518
[1-(1-oxo-1,4-thiazinan-4-yl)cyclopentyl]methanamine
CID 82235421
[1-[(4-ethoxypiperidin-1-yl)methyl]cyclobutyl]methanamine
CID 115448905
N-[[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066713

Frequently Asked Questions

What is the IUPAC name of [1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclobutyl]methanamine (CID 115448951) is [1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclobutyl]methanamine is NCC1(CN2CCS(=O)CC2)CCC1.
What is the InChIKey of [1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclobutyl]methanamine?
The InChIKey is RZMFYXIQVJPOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c11-8-10(2-1-3-10)9-12-4-6-14(13)7-5-12/h1-9,11H2.
What are the key properties of [1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclobutyl]methanamine?
[1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclobutyl]methanamine has a molecular weight of 216.35 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 115448951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).