N-butan-2-yl-N-(2-morpholin-4-ylethyl)methanesulfonamide

C11H24N2O3S — CID 163569070

IUPACN-butan-2-yl-N-(2-morpholin-4-ylethyl)methanesulfonamide
SMILESCCC(C)N(CCN1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C11H24N2O3S/c1-4-11(2)13(17(3,14)15)6-5-12-7-9-16-10-8-12/h11H,4-10H2,1-3H3
InChIKeyFXRQBNJTLCWILQ-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.38
Rot. Bonds6

About N-butan-2-yl-N-(2-morpholin-4-ylethyl)methanesulfonamide

N-butan-2-yl-N-(2-morpholin-4-ylethyl)methanesulfonamide (PubChem CID 163569070) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-butan-2-yl-N-(2-morpholin-4-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(2-morpholin-4-ylethyl)methanesulfonamide
PubChem CID163569070
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-butan-2-yl-N-(2-morpholin-4-ylethyl)methanesulfonamide
SMILESCCC(C)N(CCN1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C11H24N2O3S/c1-4-11(2)13(17(3,14)15)6-5-12-7-9-16-10-8-12/h11H,4-10H2,1-3H3
InChIKeyFXRQBNJTLCWILQ-UHFFFAOYSA-N
XLogP0.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(2-morpholin-4-ylethyl)methanesulfonamide?
The IUPAC name of N-butan-2-yl-N-(2-morpholin-4-ylethyl)methanesulfonamide (CID 163569070) is N-butan-2-yl-N-(2-morpholin-4-ylethyl)methanesulfonamide.
What is the SMILES notation for N-butan-2-yl-N-(2-morpholin-4-ylethyl)methanesulfonamide?
The canonical SMILES for N-butan-2-yl-N-(2-morpholin-4-ylethyl)methanesulfonamide is CCC(C)N(CCN1CCOCC1)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-N-(2-morpholin-4-ylethyl)methanesulfonamide?
The InChIKey is FXRQBNJTLCWILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-4-11(2)13(17(3,14)15)6-5-12-7-9-16-10-8-12/h11H,4-10H2,1-3H3.
What are the key properties of N-butan-2-yl-N-(2-morpholin-4-ylethyl)methanesulfonamide?
N-butan-2-yl-N-(2-morpholin-4-ylethyl)methanesulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(2-morpholin-4-ylethyl)methanesulfonamide is sourced from PubChem (CID 163569070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).