N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]oxolane-2-carboxamide

C12H24N2O4S — CID 113065451

IUPACN-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]oxolane-2-carboxamide
SMILESCC(C)CN(CCNC(=O)C1CCCO1)S(C)(=O)=O
InChIInChI=1S/C12H24N2O4S/c1-10(2)9-14(19(3,16)17)7-6-13-12(15)11-5-4-8-18-11/h10-11H,4-9H2,1-3H3,(H,13,15)
InChIKeyVAEPRDWAKZZBOJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.20
Rot. Bonds7

About N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]oxolane-2-carboxamide

N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]oxolane-2-carboxamide (PubChem CID 113065451) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]oxolane-2-carboxamide
PubChem CID113065451
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC NameN-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]oxolane-2-carboxamide
SMILESCC(C)CN(CCNC(=O)C1CCCO1)S(C)(=O)=O
InChIInChI=1S/C12H24N2O4S/c1-10(2)9-14(19(3,16)17)7-6-13-12(15)11-5-4-8-18-11/h10-11H,4-9H2,1-3H3,(H,13,15)
InChIKeyVAEPRDWAKZZBOJ-UHFFFAOYSA-N
XLogP0.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide
CID 113067492
N-[2-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide
CID 113065889
(2S)-N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]oxolane-2-carboxamide
CID 95167848
N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide
CID 113067555
N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide
CID 113069347
methyl N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]carbamate
CID 113065507
N-[(2R)-2-hydroxypropyl]oxolane-2-carboxamide
CID 83031393
N-(2-hydroxypropyl)oxolane-2-carboxamide
CID 43392747
(2R)-N-(5-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103861771
2-ethyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide
CID 113066137
(2R)-N-pentyloxolane-2-carboxamide
CID 146504537
N-(2-methoxyethyl)oxolane-2-carboxamide
CID 4190232

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]oxolane-2-carboxamide (CID 113065451) is N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]oxolane-2-carboxamide is CC(C)CN(CCNC(=O)C1CCCO1)S(C)(=O)=O.
What is the InChIKey of N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]oxolane-2-carboxamide?
The InChIKey is VAEPRDWAKZZBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-10(2)9-14(19(3,16)17)7-6-13-12(15)11-5-4-8-18-11/h10-11H,4-9H2,1-3H3,(H,13,15).
What are the key properties of N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]oxolane-2-carboxamide?
N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]oxolane-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 113065451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).