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

C9H20N2O4S2 — CID 102883104

IUPAC2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-amine
SMILESCCC(CN)S(=O)(=O)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C9H20N2O4S2/c1-3-9(6-10)17(14,15)11-4-5-16(12,13)7-8(11)2/h8-9H,3-7,10H2,1-2H3
InChIKeySUTOYZNOHSOAIN-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.83
Rot. Bonds4

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

2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-amine (PubChem CID 102883104) has the molecular formula C9H20N2O4S2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-amine.

Molecular Properties

Compound Name2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-amine
PubChem CID102883104
Molecular FormulaC9H20N2O4S2
Molecular Weight284.40 g/mol
Exact Mass284.09
IUPAC Name2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-amine
SMILESCCC(CN)S(=O)(=O)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C9H20N2O4S2/c1-3-9(6-10)17(14,15)11-4-5-16(12,13)7-8(11)2/h8-9H,3-7,10H2,1-2H3
InChIKeySUTOYZNOHSOAIN-UHFFFAOYSA-N
XLogP-0.83
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-chloropropan-2-ylsulfonyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102887417
(3S)-3-methyl-4-methylsulfonyl-1,4-thiazinane 1,1-dioxide
CID 167985024
4-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885531
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-ol
CID 102887405
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
CID 102882868
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonylmethyl]aniline
CID 102882331
1-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]ethanamine
CID 102884344
3-methyl-4-(piperidin-4-ylmethylsulfonyl)-1,4-thiazinane 1,1-dioxide
CID 102884485
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1-propylpyrazol-3-amine
CID 102882361
2-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
CID 102882706
2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]butan-1-amine
CID 79175177
[2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanamine
CID 102883116

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-amine?
The IUPAC name of 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-amine (CID 102883104) is 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-amine.
What is the SMILES notation for 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-amine?
The canonical SMILES for 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-amine is CCC(CN)S(=O)(=O)N1CCS(=O)(=O)CC1C.
What is the InChIKey of 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-amine?
The InChIKey is SUTOYZNOHSOAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S2/c1-3-9(6-10)17(14,15)11-4-5-16(12,13)7-8(11)2/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-amine?
2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-amine has a molecular weight of 284.40 g/mol, XLogP of -0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]butan-1-amine is sourced from PubChem (CID 102883104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).