N,2-diethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]butan-1-amine

C14H30N2O2S — CID 102886526

IUPACN,2-diethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]butan-1-amine
SMILESCCNCC(CC)(CC)CN1CCS(=O)(=O)CC1C
InChIInChI=1S/C14H30N2O2S/c1-5-14(6-2,11-15-7-3)12-16-8-9-19(17,18)10-13(16)4/h13,15H,5-12H2,1-4H3
InChIKeyBJZIBVPGRNOHJI-UHFFFAOYSA-N
MW290.47 g/mol
LogP1.52
Rot. Bonds7

About N,2-diethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]butan-1-amine

N,2-diethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]butan-1-amine (PubChem CID 102886526) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N,2-diethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]butan-1-amine
PubChem CID102886526
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN,2-diethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]butan-1-amine
SMILESCCNCC(CC)(CC)CN1CCS(=O)(=O)CC1C
InChIInChI=1S/C14H30N2O2S/c1-5-14(6-2,11-15-7-3)12-16-8-9-19(17,18)10-13(16)4/h13,15H,5-12H2,1-4H3
InChIKeyBJZIBVPGRNOHJI-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,2-diethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]butan-1-amine with MolForge

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Related Compounds

N-tert-butyl-2-ethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]butan-1-amine
CID 102886502
N-tert-butyl-2-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-1-amine
CID 102886565
2-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-1-ol
CID 102886657
methyl 2-cyclopropyl-2-(ethylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 102886205
2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanoic acid
CID 102886138
2-[(2,5-dimethylmorpholin-4-yl)methyl]-N,2-diethylbutan-1-amine
CID 62256109
N-[[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine
CID 102886933
2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanamide
CID 102886196
4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885899
1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine
CID 102884145
2-amino-2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 102887301
3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide
CID 103684411

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]butan-1-amine?
The IUPAC name of N,2-diethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]butan-1-amine (CID 102886526) is N,2-diethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]butan-1-amine.
What is the SMILES notation for N,2-diethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]butan-1-amine?
The canonical SMILES for N,2-diethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]butan-1-amine is CCNCC(CC)(CC)CN1CCS(=O)(=O)CC1C.
What is the InChIKey of N,2-diethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]butan-1-amine?
The InChIKey is BJZIBVPGRNOHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-5-14(6-2,11-15-7-3)12-16-8-9-19(17,18)10-13(16)4/h13,15H,5-12H2,1-4H3.
What are the key properties of N,2-diethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]butan-1-amine?
N,2-diethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]butan-1-amine has a molecular weight of 290.47 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 102886526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).