N-(2-methyl-2-morpholin-4-ylbutyl)methanesulfonamide

C10H22N2O3S — CID 51079512

IUPACN-(2-methyl-2-morpholin-4-ylbutyl)methanesulfonamide
SMILESCCC(C)(CNS(C)(=O)=O)N1CCOCC1
InChIInChI=1S/C10H22N2O3S/c1-4-10(2,9-11-16(3,13)14)12-5-7-15-8-6-12/h11H,4-9H2,1-3H3
InChIKeyJSJQKICEYFYWSA-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.04
Rot. Bonds5

About N-(2-methyl-2-morpholin-4-ylbutyl)methanesulfonamide

N-(2-methyl-2-morpholin-4-ylbutyl)methanesulfonamide (PubChem CID 51079512) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylbutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylbutyl)methanesulfonamide
PubChem CID51079512
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-(2-methyl-2-morpholin-4-ylbutyl)methanesulfonamide
SMILESCCC(C)(CNS(C)(=O)=O)N1CCOCC1
InChIInChI=1S/C10H22N2O3S/c1-4-10(2,9-11-16(3,13)14)12-5-7-15-8-6-12/h11H,4-9H2,1-3H3
InChIKeyJSJQKICEYFYWSA-UHFFFAOYSA-N
XLogP0.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylbutyl)methanesulfonamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylbutyl)methanesulfonamide (CID 51079512) is N-(2-methyl-2-morpholin-4-ylbutyl)methanesulfonamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylbutyl)methanesulfonamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylbutyl)methanesulfonamide is CCC(C)(CNS(C)(=O)=O)N1CCOCC1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylbutyl)methanesulfonamide?
The InChIKey is JSJQKICEYFYWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-4-10(2,9-11-16(3,13)14)12-5-7-15-8-6-12/h11H,4-9H2,1-3H3.
What are the key properties of N-(2-methyl-2-morpholin-4-ylbutyl)methanesulfonamide?
N-(2-methyl-2-morpholin-4-ylbutyl)methanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylbutyl)methanesulfonamide is sourced from PubChem (CID 51079512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).