N-[2-[methyl(propan-2-yl)amino]ethyl]-N-(2-oxopropyl)methanesulfonamide

C10H22N2O3S — CID 170366635

IUPACN-[2-[methyl(propan-2-yl)amino]ethyl]-N-(2-oxopropyl)methanesulfonamide
SMILESCC(=O)CN(CCN(C)C(C)C)S(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-9(2)11(4)6-7-12(8-10(3)13)16(5,14)15/h9H,6-8H2,1-5H3
InChIKeyAFMKUVLGATVIAW-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.18
Rot. Bonds7

About N-[2-[methyl(propan-2-yl)amino]ethyl]-N-(2-oxopropyl)methanesulfonamide

N-[2-[methyl(propan-2-yl)amino]ethyl]-N-(2-oxopropyl)methanesulfonamide (PubChem CID 170366635) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[2-[methyl(propan-2-yl)amino]ethyl]-N-(2-oxopropyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[methyl(propan-2-yl)amino]ethyl]-N-(2-oxopropyl)methanesulfonamide
PubChem CID170366635
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-[2-[methyl(propan-2-yl)amino]ethyl]-N-(2-oxopropyl)methanesulfonamide
SMILESCC(=O)CN(CCN(C)C(C)C)S(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-9(2)11(4)6-7-12(8-10(3)13)16(5,14)15/h9H,6-8H2,1-5H3
InChIKeyAFMKUVLGATVIAW-UHFFFAOYSA-N
XLogP0.18
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(propan-2-yl)amino]ethyl]-N-(2-oxopropyl)methanesulfonamide?
The IUPAC name of N-[2-[methyl(propan-2-yl)amino]ethyl]-N-(2-oxopropyl)methanesulfonamide (CID 170366635) is N-[2-[methyl(propan-2-yl)amino]ethyl]-N-(2-oxopropyl)methanesulfonamide.
What is the SMILES notation for N-[2-[methyl(propan-2-yl)amino]ethyl]-N-(2-oxopropyl)methanesulfonamide?
The canonical SMILES for N-[2-[methyl(propan-2-yl)amino]ethyl]-N-(2-oxopropyl)methanesulfonamide is CC(=O)CN(CCN(C)C(C)C)S(C)(=O)=O.
What is the InChIKey of N-[2-[methyl(propan-2-yl)amino]ethyl]-N-(2-oxopropyl)methanesulfonamide?
The InChIKey is AFMKUVLGATVIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-9(2)11(4)6-7-12(8-10(3)13)16(5,14)15/h9H,6-8H2,1-5H3.
What are the key properties of N-[2-[methyl(propan-2-yl)amino]ethyl]-N-(2-oxopropyl)methanesulfonamide?
N-[2-[methyl(propan-2-yl)amino]ethyl]-N-(2-oxopropyl)methanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(propan-2-yl)amino]ethyl]-N-(2-oxopropyl)methanesulfonamide is sourced from PubChem (CID 170366635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).