N-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide

C9H21N3O3S — CID 78950380

IUPACN-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide
SMILESCN1CCOC(CNCCNS(C)(=O)=O)C1
InChIInChI=1S/C9H21N3O3S/c1-12-5-6-15-9(8-12)7-10-3-4-11-16(2,13)14/h9-11H,3-8H2,1-2H3
InChIKeyNVWHWTFPRNXZER-UHFFFAOYSA-N
MW251.35 g/mol
LogP-1.54
Rot. Bonds6

About N-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide

N-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide (PubChem CID 78950380) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide
PubChem CID78950380
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC NameN-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide
SMILESCN1CCOC(CNCCNS(C)(=O)=O)C1
InChIInChI=1S/C9H21N3O3S/c1-12-5-6-15-9(8-12)7-10-3-4-11-16(2,13)14/h9-11H,3-8H2,1-2H3
InChIKeyNVWHWTFPRNXZER-UHFFFAOYSA-N
XLogP-1.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid
CID 95328025
3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79181889
N-[(1-methylcyclopropyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 107166209
3-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945349
N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 79038222
N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-sulfonamide
CID 79072139
methyl 4-[(4-methylmorpholin-2-yl)methylamino]butanoate
CID 78967404
4-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide
CID 106070548
N-[(1-methylcyclobutyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 106813132
N'-cyclopropyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79172100
2-[2-[(4-methylmorpholin-2-yl)methylamino]ethoxy]ethanol
CID 78998731
N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide
CID 110710241

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide (CID 78950380) is N-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide is CN1CCOC(CNCCNS(C)(=O)=O)C1.
What is the InChIKey of N-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide?
The InChIKey is NVWHWTFPRNXZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-12-5-6-15-9(8-12)7-10-3-4-11-16(2,13)14/h9-11H,3-8H2,1-2H3.
What are the key properties of N-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide?
N-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide has a molecular weight of 251.35 g/mol, XLogP of -1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 78950380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).