ethane;N,3,3-trimethyl-1-(1-oxothiazinan-2-yl)butan-2-amine

C15H36N2OS — CID 143195967

IUPACethane;N,3,3-trimethyl-1-(1-oxothiazinan-2-yl)butan-2-amine
SMILESCC.CC.CNC(CN1CCCCS1=O)C(C)(C)C
InChIInChI=1S/C11H24N2OS.2C2H6/c1-11(2,3)10(12-4)9-13-7-5-6-8-15(13)14;2*1-2/h10,12H,5-9H2,1-4H3;2*1-2H3
InChIKeyNVMCINGDWYYAOH-UHFFFAOYSA-N
MW292.53 g/mol
LogP3.43
Rot. Bonds3

About ethane;N,3,3-trimethyl-1-(1-oxothiazinan-2-yl)butan-2-amine

ethane;N,3,3-trimethyl-1-(1-oxothiazinan-2-yl)butan-2-amine (PubChem CID 143195967) has the molecular formula C15H36N2OS and a molecular weight of 292.53 g/mol. Its IUPAC name is ethane;N,3,3-trimethyl-1-(1-oxothiazinan-2-yl)butan-2-amine.

Molecular Properties

Compound Nameethane;N,3,3-trimethyl-1-(1-oxothiazinan-2-yl)butan-2-amine
PubChem CID143195967
Molecular FormulaC15H36N2OS
Molecular Weight292.53 g/mol
Exact Mass292.25
IUPAC Nameethane;N,3,3-trimethyl-1-(1-oxothiazinan-2-yl)butan-2-amine
SMILESCC.CC.CNC(CN1CCCCS1=O)C(C)(C)C
InChIInChI=1S/C11H24N2OS.2C2H6/c1-11(2,3)10(12-4)9-13-7-5-6-8-15(13)14;2*1-2/h10,12H,5-9H2,1-4H3;2*1-2H3
InChIKeyNVMCINGDWYYAOH-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.53
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;N,3,3-trimethyl-1-(1-oxothiazinan-2-yl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,3,3-trimethyl-1-(1-oxo-5-propan-2-yl-1,2,5-thiadiazolidin-2-yl)butan-2-amine
CID 143100850
1-[3,3-dimethyl-2-(methylamino)butyl]piperidin-2-one;ethane
CID 143141942
N,4,4-trimethyl-1-piperidin-1-ylpentan-3-amine
CID 62623158
N,3,3-trimethyl-1-(4-methylazepan-1-yl)butan-2-amine
CID 63622402
N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)ethanesulfonamide
CID 131940109
1-(1,3-dihydroisoindol-2-yl)-N,3,3-trimethylbutan-2-amine
CID 62204648
N,3,3-trimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine
CID 66392098
2-(2,2,5,5-tetramethylhexan-3-yl)-1,2-thiazolidine 1-oxide
CID 170320285
1-[4-(methoxymethyl)piperidin-1-yl]-N,3,3-trimethylbutan-2-amine
CID 63973269
N,4,4-trimethyl-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-3-amine
CID 79925267
N,4-dimethyl-4-piperidin-1-ylhexan-3-amine
CID 79065370
N,3,3-trimethyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-amine
CID 64577036

Frequently Asked Questions

What is the IUPAC name of ethane;N,3,3-trimethyl-1-(1-oxothiazinan-2-yl)butan-2-amine?
The IUPAC name of ethane;N,3,3-trimethyl-1-(1-oxothiazinan-2-yl)butan-2-amine (CID 143195967) is ethane;N,3,3-trimethyl-1-(1-oxothiazinan-2-yl)butan-2-amine.
What is the SMILES notation for ethane;N,3,3-trimethyl-1-(1-oxothiazinan-2-yl)butan-2-amine?
The canonical SMILES for ethane;N,3,3-trimethyl-1-(1-oxothiazinan-2-yl)butan-2-amine is CC.CC.CNC(CN1CCCCS1=O)C(C)(C)C.
What is the InChIKey of ethane;N,3,3-trimethyl-1-(1-oxothiazinan-2-yl)butan-2-amine?
The InChIKey is NVMCINGDWYYAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS.2C2H6/c1-11(2,3)10(12-4)9-13-7-5-6-8-15(13)14;2*1-2/h10,12H,5-9H2,1-4H3;2*1-2H3.
What are the key properties of ethane;N,3,3-trimethyl-1-(1-oxothiazinan-2-yl)butan-2-amine?
ethane;N,3,3-trimethyl-1-(1-oxothiazinan-2-yl)butan-2-amine has a molecular weight of 292.53 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,3,3-trimethyl-1-(1-oxothiazinan-2-yl)butan-2-amine is sourced from PubChem (CID 143195967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).