N-methyl-N-[(5-methyloxolan-2-yl)methyl]methanesulfonamide

C8H17NO3S — CID 130659174

IUPACN-methyl-N-[(5-methyloxolan-2-yl)methyl]methanesulfonamide
SMILESCC1CCC(CN(C)S(C)(=O)=O)O1
InChIInChI=1S/C8H17NO3S/c1-7-4-5-8(12-7)6-9(2)13(3,10)11/h7-8H,4-6H2,1-3H3
InChIKeyLMIWCAWRAKBFQC-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.45
Rot. Bonds3

About N-methyl-N-[(5-methyloxolan-2-yl)methyl]methanesulfonamide

N-methyl-N-[(5-methyloxolan-2-yl)methyl]methanesulfonamide (PubChem CID 130659174) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-methyl-N-[(5-methyloxolan-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyloxolan-2-yl)methyl]methanesulfonamide
PubChem CID130659174
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-methyl-N-[(5-methyloxolan-2-yl)methyl]methanesulfonamide
SMILESCC1CCC(CN(C)S(C)(=O)=O)O1
InChIInChI=1S/C8H17NO3S/c1-7-4-5-8(12-7)6-9(2)13(3,10)11/h7-8H,4-6H2,1-3H3
InChIKeyLMIWCAWRAKBFQC-UHFFFAOYSA-N
XLogP0.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl-[(5-methyloxolan-2-yl)methyl]amino]cyclohexan-1-one
CID 103134322
1-bromo-N,2-dimethyl-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine
CID 103139985
1,1-dimethyl-3-[(5-methyloxolan-2-yl)methyl]urea
CID 130951975
N-(cyclohexylmethyl)-N-methylmethanesulfonamide
CID 60728833
2-methyl-3-[methyl-[(5-methyloxolan-2-yl)methyl]amino]propanoic acid
CID 82839853
1,1,3,3-tetramethyl-2-[(5-methyloxolan-2-yl)methyl]guanidine
CID 122098480
N',N'-dimethyl-N-[(5-methyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 82834863
[(2R,5R)-5-methyloxolan-2-yl]methanamine
CID 124512926
trimethyl-[(5-methyloxolan-2-yl)methyl]azanium bromide
CID 23273617
3-[(5-methyloxolan-2-yl)methyl-propan-2-ylamino]propan-1-ol
CID 103137590
N-methyl-2-[(5-methyloxolan-2-yl)methylamino]ethanesulfonamide
CID 106333857
N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]cyclopropanamine
CID 103139756

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyloxolan-2-yl)methyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[(5-methyloxolan-2-yl)methyl]methanesulfonamide (CID 130659174) is N-methyl-N-[(5-methyloxolan-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[(5-methyloxolan-2-yl)methyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[(5-methyloxolan-2-yl)methyl]methanesulfonamide is CC1CCC(CN(C)S(C)(=O)=O)O1.
What is the InChIKey of N-methyl-N-[(5-methyloxolan-2-yl)methyl]methanesulfonamide?
The InChIKey is LMIWCAWRAKBFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7-4-5-8(12-7)6-9(2)13(3,10)11/h7-8H,4-6H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methyloxolan-2-yl)methyl]methanesulfonamide?
N-methyl-N-[(5-methyloxolan-2-yl)methyl]methanesulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyloxolan-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 130659174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).