N-tert-butyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine

C12H26N2O2S — CID 62433993

IUPACN-tert-butyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine
SMILESCC(CNC(C)(C)C)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-11(9-13-12(2,3)4)10-14-5-7-17(15,16)8-6-14/h11,13H,5-10H2,1-4H3
InChIKeyRRTZYSLKRRKJHX-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.74
Rot. Bonds4

About N-tert-butyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine

N-tert-butyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine (PubChem CID 62433993) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-tert-butyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine
PubChem CID62433993
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-tert-butyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine
SMILESCC(CNC(C)(C)C)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C12H26N2O2S/c1-11(9-13-12(2,3)4)10-14-5-7-17(15,16)8-6-14/h11,13H,5-10H2,1-4H3
InChIKeyRRTZYSLKRRKJHX-UHFFFAOYSA-N
XLogP0.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-amine
CID 55070199
N-tert-butyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-amine
CID 79184555
(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
CID 126975442
2-(tert-butylamino)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 78928308
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N,3,3-trimethylbutan-2-amine
CID 66455576
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylbutan-1-amine
CID 65227874
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
4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide
CID 63619012
4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylbutan-1-amine
CID 65247199
2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]propan-2-amine
CID 62437742
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-tert-butyl-2-methylpropan-1-amine
CID 62447852

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine?
The IUPAC name of N-tert-butyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine (CID 62433993) is N-tert-butyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine?
The canonical SMILES for N-tert-butyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine is CC(CNC(C)(C)C)CN1CCS(=O)(=O)CC1.
What is the InChIKey of N-tert-butyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine?
The InChIKey is RRTZYSLKRRKJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-11(9-13-12(2,3)4)10-14-5-7-17(15,16)8-6-14/h11,13H,5-10H2,1-4H3.
What are the key properties of N-tert-butyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine?
N-tert-butyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine has a molecular weight of 262.42 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 62433993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).