N-butan-2-yl-1-(oxolan-2-yl)methanesulfonamide

C9H19NO3S — CID 62732369

IUPACN-butan-2-yl-1-(oxolan-2-yl)methanesulfonamide
SMILESCCC(C)NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H19NO3S/c1-3-8(2)10-14(11,12)7-9-5-4-6-13-9/h8-10H,3-7H2,1-2H3
InChIKeyVSPFTSMCWSVJOJ-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.88
Rot. Bonds5

About N-butan-2-yl-1-(oxolan-2-yl)methanesulfonamide

N-butan-2-yl-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 62732369) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-butan-2-yl-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(oxolan-2-yl)methanesulfonamide
PubChem CID62732369
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-butan-2-yl-1-(oxolan-2-yl)methanesulfonamide
SMILESCCC(C)NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H19NO3S/c1-3-8(2)10-14(11,12)7-9-5-4-6-13-9/h8-10H,3-7H2,1-2H3
InChIKeyVSPFTSMCWSVJOJ-UHFFFAOYSA-N
XLogP0.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyloxan-4-yl)-2-(oxolan-2-yl)ethanesulfonamide
CID 75439666
2-methyl-N-[3-(2-methylpropoxy)propyl]oxolane-3-sulfonamide
CID 75485175
N-butan-2-yloxolane-3-sulfonamide
CID 53615973
3-(2-Methyloxolan-3-yl)sulfonylpropan-1-amine
CID 58684868
N-(oxan-4-yl)propane-2-sulfonamide
CID 61355877
N-(oxolan-2-ylmethyl)propane-2-sulfonamide
CID 61361636
N-(oxan-4-yl)propane-1-sulfonamide
CID 61384178
1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 64294996
N-isopropyltetrahydro-2H-pyran-4-sulfonamide
CID 64295375
N-isopropyltetrahydrofuran-3-sulfonamide
CID 71633141
N-(oxan-4-yl)butane-1-sulfonamide
CID 110726870
3-ethoxy-N-propan-2-ylpropane-1-sulfonamide
CID 118884460

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-butan-2-yl-1-(oxolan-2-yl)methanesulfonamide (CID 62732369) is N-butan-2-yl-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-butan-2-yl-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-butan-2-yl-1-(oxolan-2-yl)methanesulfonamide is CCC(C)NS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-butan-2-yl-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is VSPFTSMCWSVJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-8(2)10-14(11,12)7-9-5-4-6-13-9/h8-10H,3-7H2,1-2H3.
What are the key properties of N-butan-2-yl-1-(oxolan-2-yl)methanesulfonamide?
N-butan-2-yl-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 62732369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).