N-butyl-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide

C12H24N2O4S — CID 113136649

IUPACN-butyl-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
SMILESCCCCN(CCC(=O)N1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C12H24N2O4S/c1-3-4-6-14(19(2,16)17)7-5-12(15)13-8-10-18-11-9-13/h3-11H2,1-2H3
InChIKeyOUEOIJOLCDMMOL-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.30
Rot. Bonds7

About N-butyl-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide

N-butyl-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide (PubChem CID 113136649) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-butyl-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide.

Molecular Properties

Compound NameN-butyl-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
PubChem CID113136649
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC NameN-butyl-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
SMILESCCCCN(CCC(=O)N1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C12H24N2O4S/c1-3-4-6-14(19(2,16)17)7-5-12(15)13-8-10-18-11-9-13/h3-11H2,1-2H3
InChIKeyOUEOIJOLCDMMOL-UHFFFAOYSA-N
XLogP0.30
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butyl-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide 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

(2,6-Dimethylmorpholino)(1-(methylsulfonyl)azetidin-3-yl)methanone
CID 71785458
N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-N-(trifluoromethylsulfonyl)acetamide
CID 20690181
N-[(4-acetylmorpholin-2-yl)methyl]methanesulfonamide
CID 59268311
N-ethyl-N-(3-morpholin-4-yl-3-oxo-2-propan-2-yloxypropyl)methanesulfonamide
CID 70811562
N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
CID 84449240
N-methyl-N-(3-morpholin-4-yl-3-oxo-2-propan-2-yloxypropyl)methanesulfonamide
CID 89901732
N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 45805934
N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]methanesulfonamide
CID 45815140
N-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]methanesulfonamide
CID 45815171
N-[3-(2,5-dimethylmorpholin-4-yl)-3-oxopropyl]methanesulfonamide
CID 45815238
N-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]methanesulfonamide
CID 45815294
N-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]-N-methylmethanesulfonamide
CID 45815339

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide?
The IUPAC name of N-butyl-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide (CID 113136649) is N-butyl-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide.
What is the SMILES notation for N-butyl-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide?
The canonical SMILES for N-butyl-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide is CCCCN(CCC(=O)N1CCOCC1)S(C)(=O)=O.
What is the InChIKey of N-butyl-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide?
The InChIKey is OUEOIJOLCDMMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-3-4-6-14(19(2,16)17)7-5-12(15)13-8-10-18-11-9-13/h3-11H2,1-2H3.
What are the key properties of N-butyl-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide?
N-butyl-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 0.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide is sourced from PubChem (CID 113136649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).