N-methyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propane-2-sulfonamide

C15H32N2O3S — CID 167136596

IUPACN-methyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propane-2-sulfonamide
SMILESCC(C)CCCN1CCO[C@@H](CN(C)S(=O)(=O)C(C)C)C1
InChIInChI=1S/C15H32N2O3S/c1-13(2)7-6-8-17-9-10-20-15(12-17)11-16(5)21(18,19)14(3)4/h13-15H,6-12H2,1-5H3/t15-/m0/s1
InChIKeyXLUMRGRQFXDHTP-HNNXBMFYSA-N
MW320.50 g/mol
LogP1.79
Rot. Bonds8

About N-methyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propane-2-sulfonamide

N-methyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propane-2-sulfonamide (PubChem CID 167136596) has the molecular formula C15H32N2O3S and a molecular weight of 320.50 g/mol. Its IUPAC name is N-methyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propane-2-sulfonamide
PubChem CID167136596
Molecular FormulaC15H32N2O3S
Molecular Weight320.50 g/mol
Exact Mass320.21
IUPAC NameN-methyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propane-2-sulfonamide
SMILESCC(C)CCCN1CCO[C@@H](CN(C)S(=O)(=O)C(C)C)C1
InChIInChI=1S/C15H32N2O3S/c1-13(2)7-6-8-17-9-10-20-15(12-17)11-16(5)21(18,19)14(3)4/h13-15H,6-12H2,1-5H3/t15-/m0/s1
InChIKeyXLUMRGRQFXDHTP-HNNXBMFYSA-N
XLogP1.79
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propane-2-sulfonamide?
The IUPAC name of N-methyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propane-2-sulfonamide (CID 167136596) is N-methyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propane-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propane-2-sulfonamide?
The canonical SMILES for N-methyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propane-2-sulfonamide is CC(C)CCCN1CCO[C@@H](CN(C)S(=O)(=O)C(C)C)C1.
What is the InChIKey of N-methyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propane-2-sulfonamide?
The InChIKey is XLUMRGRQFXDHTP-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H32N2O3S/c1-13(2)7-6-8-17-9-10-20-15(12-17)11-16(5)21(18,19)14(3)4/h13-15H,6-12H2,1-5H3/t15-/m0/s1.
What are the key properties of N-methyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propane-2-sulfonamide?
N-methyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propane-2-sulfonamide has a molecular weight of 320.50 g/mol, XLogP of 1.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 167136596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).