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

C9H19NO3S — CID 62734998

IUPACN-(2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(C)CNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H19NO3S/c1-8(2)6-10-14(11,12)7-9-4-3-5-13-9/h8-10H,3-7H2,1-2H3
InChIKeyBPGMRAJADVPMQD-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.74
Rot. Bonds5

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

N-(2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 62734998) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID62734998
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-(2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(C)CNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H19NO3S/c1-8(2)6-10-14(11,12)7-9-4-3-5-13-9/h8-10H,3-7H2,1-2H3
InChIKeyBPGMRAJADVPMQD-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide (CID 62734998) is N-(2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide is CC(C)CNS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is BPGMRAJADVPMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-8(2)6-10-14(11,12)7-9-4-3-5-13-9/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 62734998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).