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

C13H28N2O3S — CID 69191765

IUPACN-[[4-(3,3-dimethylpentan-2-yl)morpholin-3-yl]methyl]methanesulfonamide
SMILESCCC(C)(C)C(C)N1CCOCC1CNS(C)(=O)=O
InChIInChI=1S/C13H28N2O3S/c1-6-13(3,4)11(2)15-7-8-18-10-12(15)9-14-19(5,16)17/h11-12,14H,6-10H2,1-5H3
InChIKeyMNCFGDUQWQUVAF-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.06
Rot. Bonds6

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

N-[[4-(3,3-dimethylpentan-2-yl)morpholin-3-yl]methyl]methanesulfonamide (PubChem CID 69191765) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[[4-(3,3-dimethylpentan-2-yl)morpholin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-(3,3-dimethylpentan-2-yl)morpholin-3-yl]methyl]methanesulfonamide
PubChem CID69191765
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-[[4-(3,3-dimethylpentan-2-yl)morpholin-3-yl]methyl]methanesulfonamide
SMILESCCC(C)(C)C(C)N1CCOCC1CNS(C)(=O)=O
InChIInChI=1S/C13H28N2O3S/c1-6-13(3,4)11(2)15-7-8-18-10-12(15)9-14-19(5,16)17/h11-12,14H,6-10H2,1-5H3
InChIKeyMNCFGDUQWQUVAF-UHFFFAOYSA-N
XLogP1.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.06
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-dimethylpentan-2-yl)morpholin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-(3,3-dimethylpentan-2-yl)morpholin-3-yl]methyl]methanesulfonamide (CID 69191765) is N-[[4-(3,3-dimethylpentan-2-yl)morpholin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-(3,3-dimethylpentan-2-yl)morpholin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-(3,3-dimethylpentan-2-yl)morpholin-3-yl]methyl]methanesulfonamide is CCC(C)(C)C(C)N1CCOCC1CNS(C)(=O)=O.
What is the InChIKey of N-[[4-(3,3-dimethylpentan-2-yl)morpholin-3-yl]methyl]methanesulfonamide?
The InChIKey is MNCFGDUQWQUVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-6-13(3,4)11(2)15-7-8-18-10-12(15)9-14-19(5,16)17/h11-12,14H,6-10H2,1-5H3.
What are the key properties of N-[[4-(3,3-dimethylpentan-2-yl)morpholin-3-yl]methyl]methanesulfonamide?
N-[[4-(3,3-dimethylpentan-2-yl)morpholin-3-yl]methyl]methanesulfonamide has a molecular weight of 292.44 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,3-dimethylpentan-2-yl)morpholin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 69191765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).