N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-4,7-diethyl-1,4,7-triazonane-1-carboxamide

C17H35N5O3S — CID 167946446

IUPACN-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-4,7-diethyl-1,4,7-triazonane-1-carboxamide
SMILESCCN1CCN(CC)CCN(C(=O)NCCC2CNCCS2(=O)=O)CC1
InChIInChI=1S/C17H35N5O3S/c1-3-20-8-9-21(4-2)11-13-22(12-10-20)17(23)19-6-5-16-15-18-7-14-26(16,24)25/h16,18H,3-15H2,1-2H3,(H,19,23)
InChIKeyVYLBCFFASGXFIG-UHFFFAOYSA-N
MW389.57 g/mol
LogP-0.57
Rot. Bonds5

About N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-4,7-diethyl-1,4,7-triazonane-1-carboxamide

N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-4,7-diethyl-1,4,7-triazonane-1-carboxamide (PubChem CID 167946446) has the molecular formula C17H35N5O3S and a molecular weight of 389.57 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-4,7-diethyl-1,4,7-triazonane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-4,7-diethyl-1,4,7-triazonane-1-carboxamide
PubChem CID167946446
Molecular FormulaC17H35N5O3S
Molecular Weight389.57 g/mol
Exact Mass389.25
IUPAC NameN-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-4,7-diethyl-1,4,7-triazonane-1-carboxamide
SMILESCCN1CCN(CC)CCN(C(=O)NCCC2CNCCS2(=O)=O)CC1
InChIInChI=1S/C17H35N5O3S/c1-3-20-8-9-21(4-2)11-13-22(12-10-20)17(23)19-6-5-16-15-18-7-14-26(16,24)25/h16,18H,3-15H2,1-2H3,(H,19,23)
InChIKeyVYLBCFFASGXFIG-UHFFFAOYSA-N
XLogP-0.57
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-4,7-diethyl-1,4,7-triazonane-1-carboxamide 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,4-diethylpiperazine-1-carboxamide
CID 22309084
3-[(4-ethylpiperazine-1-carbonyl)amino]propanoic acid
CID 61190436
N-(3-cyclohexylpropyl)-4-ethylpiperazine-1-carboxamide
CID 112837772
N-(2-pyrrolidin-3-ylethyl)piperidine-1-carboxamide
CID 79156274
4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 108891161
N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-2-ethyl-6-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 128833216
4-ethyl-N-[2-[(2-phenylacetyl)amino]ethyl]piperazine-1-carboxamide
CID 60612186
N-butylaziridine-1-carboxamide
CID 55206947
N-ethylpiperazine-1-carboxamide
CID 9207783
N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 119901768
4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide
CID 116676223
1,3-bis(4-ethylpiperazin-1-yl)propane-1,3-dione
CID 108944495

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-4,7-diethyl-1,4,7-triazonane-1-carboxamide?
The IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-4,7-diethyl-1,4,7-triazonane-1-carboxamide (CID 167946446) is N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-4,7-diethyl-1,4,7-triazonane-1-carboxamide.
What is the SMILES notation for N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-4,7-diethyl-1,4,7-triazonane-1-carboxamide?
The canonical SMILES for N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-4,7-diethyl-1,4,7-triazonane-1-carboxamide is CCN1CCN(CC)CCN(C(=O)NCCC2CNCCS2(=O)=O)CC1.
What is the InChIKey of N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-4,7-diethyl-1,4,7-triazonane-1-carboxamide?
The InChIKey is VYLBCFFASGXFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N5O3S/c1-3-20-8-9-21(4-2)11-13-22(12-10-20)17(23)19-6-5-16-15-18-7-14-26(16,24)25/h16,18H,3-15H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-4,7-diethyl-1,4,7-triazonane-1-carboxamide?
N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-4,7-diethyl-1,4,7-triazonane-1-carboxamide has a molecular weight of 389.57 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-4,7-diethyl-1,4,7-triazonane-1-carboxamide is sourced from PubChem (CID 167946446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).