N-methyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide

C10H21NO3S — CID 110733190

IUPACN-methyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)CC1CCCO1
InChIInChI=1S/C10H21NO3S/c1-3-4-8-15(12,13)11(2)9-10-6-5-7-14-10/h10H,3-9H2,1-2H3
InChIKeyQNMHVDDMJAURPJ-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.23
Rot. Bonds6

About N-methyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide

N-methyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide (PubChem CID 110733190) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-methyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide
PubChem CID110733190
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-methyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)CC1CCCO1
InChIInChI=1S/C10H21NO3S/c1-3-4-8-15(12,13)11(2)9-10-6-5-7-14-10/h10H,3-9H2,1-2H3
InChIKeyQNMHVDDMJAURPJ-UHFFFAOYSA-N
XLogP1.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[(2R)-oxan-2-yl]methyl]pentane-1-sulfonamide
CID 97306297
3-amino-N-ethyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide
CID 61435361
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
4-amino-N-ethyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide
CID 54951943
N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide
CID 113066194
2-butylsulfonyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 106512524
1-[2-(aminomethyl)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide
CID 61435991
N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110733201
N'-methyl-N'-[methyl(oxan-2-ylmethyl)sulfamoyl]propane-1,3-diamine
CID 54951890
N-(3-bromopropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 106441751
N-methyl-N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103305237
N-(cyclopentylmethyl)-N-methylpropane-1-sulfonamide
CID 62068860

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide?
The IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide (CID 110733190) is N-methyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide.
What is the SMILES notation for N-methyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide?
The canonical SMILES for N-methyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide is CCCCS(=O)(=O)N(C)CC1CCCO1.
What is the InChIKey of N-methyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide?
The InChIKey is QNMHVDDMJAURPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-4-8-15(12,13)11(2)9-10-6-5-7-14-10/h10H,3-9H2,1-2H3.
What are the key properties of N-methyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide?
N-methyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide is sourced from PubChem (CID 110733190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).