N-ethyl-2-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine

C12H26N2OS — CID 62260078

IUPACN-ethyl-2-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine
SMILESCCNCC(C)(CC)CN1CCS(=O)CC1
InChIInChI=1S/C12H26N2OS/c1-4-12(3,10-13-5-2)11-14-6-8-16(15)9-7-14/h13H,4-11H2,1-3H3
InChIKeyXUISKFLRXYXCHA-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.08
Rot. Bonds6

About N-ethyl-2-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine

N-ethyl-2-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine (PubChem CID 62260078) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine
PubChem CID62260078
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC NameN-ethyl-2-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine
SMILESCCNCC(C)(CC)CN1CCS(=O)CC1
InChIInChI=1S/C12H26N2OS/c1-4-12(3,10-13-5-2)11-14-6-8-16(15)9-7-14/h13H,4-11H2,1-3H3
InChIKeyXUISKFLRXYXCHA-UHFFFAOYSA-N
XLogP1.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethyl-2-methylbutan-1-amine
CID 62271722
2-[(4-ethoxypiperidin-1-yl)methyl]-N-ethyl-2-methylbutan-1-amine
CID 62257768
N-ethyl-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine
CID 63973001
1-[2-(ethylaminomethyl)-2-methylbutyl]-4-methylazepan-4-ol
CID 107408780
2,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)propanal
CID 62275848
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-ethyl-2-methylbutan-1-amine
CID 55051900
2-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-N-propylbutan-1-amine
CID 62263159
N-ethyl-2-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]butan-1-amine
CID 62263594
N-ethyl-2-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]butan-1-amine
CID 62277022
N-ethyl-2-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]butan-1-amine
CID 81200539
N-ethyl-2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butan-1-amine
CID 62255996
2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-N-propylbutan-1-amine
CID 62776591

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine (CID 62260078) is N-ethyl-2-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine is CCNCC(C)(CC)CN1CCS(=O)CC1.
What is the InChIKey of N-ethyl-2-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine?
The InChIKey is XUISKFLRXYXCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-4-12(3,10-13-5-2)11-14-6-8-16(15)9-7-14/h13H,4-11H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine?
N-ethyl-2-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine has a molecular weight of 246.42 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 62260078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).