N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide;ethane;sulfane

C14H32N2O2S — CID 156795217

IUPACN-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide;ethane;sulfane
SMILESCC.CCCCN1CCOC(CN(C)C(C)=O)C1.S
InChIInChI=1S/C12H24N2O2.C2H6.H2S/c1-4-5-6-14-7-8-16-12(10-14)9-13(3)11(2)15;1-2;/h12H,4-10H2,1-3H3;1-2H3;1H2
InChIKeyHINDFVYCSPWADE-UHFFFAOYSA-N
MW292.49 g/mol
LogP2.10
Rot. Bonds5

About N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide;ethane;sulfane

N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide;ethane;sulfane (PubChem CID 156795217) has the molecular formula C14H32N2O2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide;ethane;sulfane.

Molecular Properties

Compound NameN-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide;ethane;sulfane
PubChem CID156795217
Molecular FormulaC14H32N2O2S
Molecular Weight292.49 g/mol
Exact Mass292.22
IUPAC NameN-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide;ethane;sulfane
SMILESCC.CCCCN1CCOC(CN(C)C(C)=O)C1.S
InChIInChI=1S/C12H24N2O2.C2H6.H2S/c1-4-5-6-14-7-8-16-12(10-14)9-13(3)11(2)15;1-2;/h12H,4-10H2,1-3H3;1-2H3;1H2
InChIKeyHINDFVYCSPWADE-UHFFFAOYSA-N
XLogP2.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide
CID 156795218
N-[(4-butylmorpholin-2-yl)methyl]-N,2-dimethylpropanamide;ethane
CID 169213965
N-methyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]acetamide
CID 170064550
N,2-dimethyl-N-[(4-pentylmorpholin-2-yl)methyl]propanamide
CID 163400251
N-[(4-butylmorpholin-2-yl)methyl]-N-methylethanamine
CID 164557510
N,2-dimethyl-N-[(4-propylmorpholin-2-yl)methyl]propanamide
CID 164906952
N-[(4-butylmorpholin-2-yl)methyl]-N-methylpropane-2-sulfonamide;ethane
CID 178004297
N,2-dimethyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propanamide
CID 138727851
N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-N-methylpropanamide
CID 155582749
4-dodecyl-2-ethylmorpholine
CID 4616518
acetic acid;4-butyl-2-methylmorpholine
CID 175198746
2-(chloromethyl)-4-pentylmorpholine
CID 81213679

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide;ethane;sulfane?
The IUPAC name of N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide;ethane;sulfane (CID 156795217) is N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide;ethane;sulfane.
What is the SMILES notation for N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide;ethane;sulfane?
The canonical SMILES for N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide;ethane;sulfane is CC.CCCCN1CCOC(CN(C)C(C)=O)C1.S.
What is the InChIKey of N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide;ethane;sulfane?
The InChIKey is HINDFVYCSPWADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.C2H6.H2S/c1-4-5-6-14-7-8-16-12(10-14)9-13(3)11(2)15;1-2;/h12H,4-10H2,1-3H3;1-2H3;1H2.
What are the key properties of N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide;ethane;sulfane?
N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide;ethane;sulfane has a molecular weight of 292.49 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide;ethane;sulfane is sourced from PubChem (CID 156795217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).