1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methoxypropan-2-amine

C8H18N2O3S — CID 81101028

IUPAC1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methoxypropan-2-amine
SMILESCOCC(N)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H18N2O3S/c1-13-7-8(9)6-10-2-4-14(11,12)5-3-10/h8H,2-7,9H2,1H3
InChIKeyMVUAEPLWUPEFGW-UHFFFAOYSA-N
MW222.31 g/mol
LogP-1.31
Rot. Bonds4

About 1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methoxypropan-2-amine

1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methoxypropan-2-amine (PubChem CID 81101028) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methoxypropan-2-amine
PubChem CID81101028
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methoxypropan-2-amine
SMILESCOCC(N)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H18N2O3S/c1-13-7-8(9)6-10-2-4-14(11,12)5-3-10/h8H,2-7,9H2,1H3
InChIKeyMVUAEPLWUPEFGW-UHFFFAOYSA-N
XLogP-1.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(8-azaspiro[4.5]decan-8-yl)-3-methoxypropan-2-amine
CID 81100930
4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methoxybutan-2-ol
CID 106246276
4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide
CID 63619012
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylbutan-1-amine
CID 65227874
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methoxypropan-2-amine
CID 104959190
3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanethioamide
CID 43581490
1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
CID 20604768
(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
CID 126975442
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxypropan-2-amine
CID 81101377
3-methoxypropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 58283303
1-butoxy-3-(1,1-dioxo-1,4-thiazepan-4-yl)propan-2-ol
CID 107271874
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 113280017

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methoxypropan-2-amine?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methoxypropan-2-amine (CID 81101028) is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methoxypropan-2-amine?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methoxypropan-2-amine is COCC(N)CN1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methoxypropan-2-amine?
The InChIKey is MVUAEPLWUPEFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-13-7-8(9)6-10-2-4-14(11,12)5-3-10/h8H,2-7,9H2,1H3.
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methoxypropan-2-amine?
1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methoxypropan-2-amine has a molecular weight of 222.31 g/mol, XLogP of -1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methoxypropan-2-amine is sourced from PubChem (CID 81101028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).