N-[2-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]methyl]morpholin-4-yl]ethyl]propan-2-amine

C16H34N4O3S — CID 146245769

IUPACN-[2-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]methyl]morpholin-4-yl]ethyl]propan-2-amine
SMILESCC(C)NCCN1CCOC(CNCCN2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C16H34N4O3S/c1-15(2)18-4-6-20-7-10-23-16(14-20)13-17-3-5-19-8-11-24(21,22)12-9-19/h15-18H,3-14H2,1-2H3
InChIKeyAUQKNLRXEBDJHJ-UHFFFAOYSA-N
MW362.54 g/mol
LogP-0.99
Rot. Bonds9

About N-[2-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]methyl]morpholin-4-yl]ethyl]propan-2-amine

N-[2-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]methyl]morpholin-4-yl]ethyl]propan-2-amine (PubChem CID 146245769) has the molecular formula C16H34N4O3S and a molecular weight of 362.54 g/mol. Its IUPAC name is N-[2-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]methyl]morpholin-4-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]methyl]morpholin-4-yl]ethyl]propan-2-amine
PubChem CID146245769
Molecular FormulaC16H34N4O3S
Molecular Weight362.54 g/mol
Exact Mass362.24
IUPAC NameN-[2-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]methyl]morpholin-4-yl]ethyl]propan-2-amine
SMILESCC(C)NCCN1CCOC(CNCCN2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C16H34N4O3S/c1-15(2)18-4-6-20-7-10-23-16(14-20)13-17-3-5-19-8-11-24(21,22)12-9-19/h15-18H,3-14H2,1-2H3
InChIKeyAUQKNLRXEBDJHJ-UHFFFAOYSA-N
XLogP-0.99
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine
CID 154962749
N-[2-(2-ethylmorpholin-4-yl)ethyl]propan-2-amine
CID 60843262
2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine
CID 138728370
N-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 155707218
N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 155188422
[[4-[2-[2-(propan-2-ylamino)ethoxy]ethyl]morpholin-2-yl]methylamino]methanethiol
CID 170250687
2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 170057363
N-[2-(2-ethylmorpholin-4-yl)ethyl]butan-2-amine
CID 60853221
N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 96645037
N-[(4-ethylmorpholin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 79165338
N-[(4-propan-2-ylmorpholin-2-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 106325494
N-(cyclopropylmethyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 60866421

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]methyl]morpholin-4-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]methyl]morpholin-4-yl]ethyl]propan-2-amine (CID 146245769) is N-[2-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]methyl]morpholin-4-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]methyl]morpholin-4-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]methyl]morpholin-4-yl]ethyl]propan-2-amine is CC(C)NCCN1CCOC(CNCCN2CCS(=O)(=O)CC2)C1.
What is the InChIKey of N-[2-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]methyl]morpholin-4-yl]ethyl]propan-2-amine?
The InChIKey is AUQKNLRXEBDJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O3S/c1-15(2)18-4-6-20-7-10-23-16(14-20)13-17-3-5-19-8-11-24(21,22)12-9-19/h15-18H,3-14H2,1-2H3.
What are the key properties of N-[2-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]methyl]morpholin-4-yl]ethyl]propan-2-amine?
N-[2-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]methyl]morpholin-4-yl]ethyl]propan-2-amine has a molecular weight of 362.54 g/mol, XLogP of -0.99, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]methyl]morpholin-4-yl]ethyl]propan-2-amine is sourced from PubChem (CID 146245769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).