[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methanamine

C10H16N2OS2 — CID 107556296

IUPAC[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methanamine
SMILESNCc1ccc(CN2CCS(=O)CC2)s1
InChIInChI=1S/C10H16N2OS2/c11-7-9-1-2-10(14-9)8-12-3-5-15(13)6-4-12/h1-2H,3-8,11H2
InChIKeyRVTZMGDAZJAKQG-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.77
Rot. Bonds3

About [5-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methanamine

[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methanamine (PubChem CID 107556296) has the molecular formula C10H16N2OS2 and a molecular weight of 244.38 g/mol. Its IUPAC name is [5-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methanamine
PubChem CID107556296
Molecular FormulaC10H16N2OS2
Molecular Weight244.38 g/mol
Exact Mass244.07
IUPAC Name[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methanamine
SMILESNCc1ccc(CN2CCS(=O)CC2)s1
InChIInChI=1S/C10H16N2OS2/c11-7-9-1-2-10(14-9)8-12-3-5-15(13)6-4-12/h1-2H,3-8,11H2
InChIKeyRVTZMGDAZJAKQG-UHFFFAOYSA-N
XLogP0.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(Thien-2-ylmethyl)piperazine
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[1-(Thiophen-2-ylmethyl)piperidin-4-yl]methanamine
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(Prop-2-en-1-yl)(thiophen-2-ylmethyl)amine
CID 2560646
1-Thiophen-2-ylmethyl-piperazine dihydrochloride
CID 45074832
N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)methanesulfonamide
CID 3236587
US10807974, Example 3
CID 130345075
4-(2-Thienylmethyl)-1lambda6,4-thiazinane-1,1-dione
CID 2777268
2-Thiophen-2-yl-piperazine
CID 2771726
(5-((Dimethylamino)methyl)thiophen-2-yl)methanamine
CID 20098884
3-(Piperidine-1-sulfonyl)-N-thiophen-2-ylmethyl-benzenesulfonamide
CID 646351

Frequently Asked Questions

What is the IUPAC name of [5-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methanamine (CID 107556296) is [5-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methanamine is NCc1ccc(CN2CCS(=O)CC2)s1.
What is the InChIKey of [5-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methanamine?
The InChIKey is RVTZMGDAZJAKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS2/c11-7-9-1-2-10(14-9)8-12-3-5-15(13)6-4-12/h1-2H,3-8,11H2.
What are the key properties of [5-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methanamine?
[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methanamine has a molecular weight of 244.38 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 107556296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).