N-[[4-(3,3-dimethylbutan-2-yl)morpholin-3-yl]methyl]methanesulfonamide

C12H26N2O3S — CID 70811603

IUPACN-[[4-(3,3-dimethylbutan-2-yl)morpholin-3-yl]methyl]methanesulfonamide
SMILESCC(N1CCOCC1CNS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C12H26N2O3S/c1-10(12(2,3)4)14-6-7-17-9-11(14)8-13-18(5,15)16/h10-11,13H,6-9H2,1-5H3
InChIKeyYFSYVTIHRSNOGE-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.67
Rot. Bonds4

About N-[[4-(3,3-dimethylbutan-2-yl)morpholin-3-yl]methyl]methanesulfonamide

N-[[4-(3,3-dimethylbutan-2-yl)morpholin-3-yl]methyl]methanesulfonamide (PubChem CID 70811603) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[[4-(3,3-dimethylbutan-2-yl)morpholin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-(3,3-dimethylbutan-2-yl)morpholin-3-yl]methyl]methanesulfonamide
PubChem CID70811603
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-[[4-(3,3-dimethylbutan-2-yl)morpholin-3-yl]methyl]methanesulfonamide
SMILESCC(N1CCOCC1CNS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C12H26N2O3S/c1-10(12(2,3)4)14-6-7-17-9-11(14)8-13-18(5,15)16/h10-11,13H,6-9H2,1-5H3
InChIKeyYFSYVTIHRSNOGE-UHFFFAOYSA-N
XLogP0.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,3-dimethylbutan-2-yl)morpholin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-(3,3-dimethylbutan-2-yl)morpholin-3-yl]methyl]methanesulfonamide (CID 70811603) is N-[[4-(3,3-dimethylbutan-2-yl)morpholin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-(3,3-dimethylbutan-2-yl)morpholin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-(3,3-dimethylbutan-2-yl)morpholin-3-yl]methyl]methanesulfonamide is CC(N1CCOCC1CNS(C)(=O)=O)C(C)(C)C.
What is the InChIKey of N-[[4-(3,3-dimethylbutan-2-yl)morpholin-3-yl]methyl]methanesulfonamide?
The InChIKey is YFSYVTIHRSNOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-10(12(2,3)4)14-6-7-17-9-11(14)8-13-18(5,15)16/h10-11,13H,6-9H2,1-5H3.
What are the key properties of N-[[4-(3,3-dimethylbutan-2-yl)morpholin-3-yl]methyl]methanesulfonamide?
N-[[4-(3,3-dimethylbutan-2-yl)morpholin-3-yl]methyl]methanesulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,3-dimethylbutan-2-yl)morpholin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 70811603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).