N-(1-methoxypropan-2-yl)-N-methylmethanesulfonamide

C6H15NO3S — CID 61059829

IUPACN-(1-methoxypropan-2-yl)-N-methylmethanesulfonamide
SMILESCOCC(C)N(C)S(C)(=O)=O
InChIInChI=1S/C6H15NO3S/c1-6(5-10-3)7(2)11(4,8)9/h6H,5H2,1-4H3
InChIKeyKPIPIBPZBKZSFC-UHFFFAOYSA-N
MW181.26 g/mol
LogP-0.09
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-N-methylmethanesulfonamide

N-(1-methoxypropan-2-yl)-N-methylmethanesulfonamide (PubChem CID 61059829) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-N-methylmethanesulfonamide
PubChem CID61059829
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC NameN-(1-methoxypropan-2-yl)-N-methylmethanesulfonamide
SMILESCOCC(C)N(C)S(C)(=O)=O
InChIInChI=1S/C6H15NO3S/c1-6(5-10-3)7(2)11(4,8)9/h6H,5H2,1-4H3
InChIKeyKPIPIBPZBKZSFC-UHFFFAOYSA-N
XLogP-0.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-N-methylmethanesulfonamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-N-methylmethanesulfonamide (CID 61059829) is N-(1-methoxypropan-2-yl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-N-methylmethanesulfonamide is COCC(C)N(C)S(C)(=O)=O.
What is the InChIKey of N-(1-methoxypropan-2-yl)-N-methylmethanesulfonamide?
The InChIKey is KPIPIBPZBKZSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-6(5-10-3)7(2)11(4,8)9/h6H,5H2,1-4H3.
What are the key properties of N-(1-methoxypropan-2-yl)-N-methylmethanesulfonamide?
N-(1-methoxypropan-2-yl)-N-methylmethanesulfonamide has a molecular weight of 181.26 g/mol, XLogP of -0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 61059829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).