1-(2,2-diethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-2-amine;hydrochloride

C12H27ClN2O2S — CID 120857101

IUPAC1-(2,2-diethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-2-amine;hydrochloride
SMILESCCC1(CC)CN(CC(C)(C)N)CCS1(=O)=O.Cl
InChIInChI=1S/C12H26N2O2S.ClH/c1-5-12(6-2)10-14(9-11(3,4)13)7-8-17(12,15)16;/h5-10,13H2,1-4H3;1H
InChIKeyASIMDDSVZXBWIG-UHFFFAOYSA-N
MW298.88 g/mol
LogP1.43
Rot. Bonds4

About 1-(2,2-diethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-2-amine;hydrochloride

1-(2,2-diethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-2-amine;hydrochloride (PubChem CID 120857101) has the molecular formula C12H27ClN2O2S and a molecular weight of 298.88 g/mol. Its IUPAC name is 1-(2,2-diethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,2-diethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-2-amine;hydrochloride
PubChem CID120857101
Molecular FormulaC12H27ClN2O2S
Molecular Weight298.88 g/mol
Exact Mass298.15
IUPAC Name1-(2,2-diethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-2-amine;hydrochloride
SMILESCCC1(CC)CN(CC(C)(C)N)CCS1(=O)=O.Cl
InChIInChI=1S/C12H26N2O2S.ClH/c1-5-12(6-2)10-14(9-11(3,4)13)7-8-17(12,15)16;/h5-10,13H2,1-4H3;1H
InChIKeyASIMDDSVZXBWIG-UHFFFAOYSA-N
XLogP1.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.88
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-diethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
CID 133496812
3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 136540112
ethyl 1-(2-amino-2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxylate
CID 120857952
2-methyl-1-morpholin-4-ylpropan-2-amine;dihydrochloride
CID 118511951
(2,2-diethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(2,2-difluoro-3-methylcyclopropyl)methanone
CID 136533642
2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-one;hydrochloride
CID 119337411
2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
CID 63004401
1-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpropan-2-amine
CID 45117280
N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride
CID 120847870
4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-diethyl-1,4-thiazinane 1,1-dioxide
CID 133496927
1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride
CID 120858200
1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride
CID 120849628

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-(2,2-diethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-2-amine;hydrochloride (CID 120857101) is 1-(2,2-diethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2,2-diethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-(2,2-diethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-2-amine;hydrochloride is CCC1(CC)CN(CC(C)(C)N)CCS1(=O)=O.Cl.
What is the InChIKey of 1-(2,2-diethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-2-amine;hydrochloride?
The InChIKey is ASIMDDSVZXBWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S.ClH/c1-5-12(6-2)10-14(9-11(3,4)13)7-8-17(12,15)16;/h5-10,13H2,1-4H3;1H.
What are the key properties of 1-(2,2-diethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-2-amine;hydrochloride?
1-(2,2-diethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-2-amine;hydrochloride has a molecular weight of 298.88 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 120857101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).