N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide

C14H30N2O3S — CID 86805337

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide
SMILESCC1OCCC1S(=O)(=O)N(C)CCN(C(C)C)C(C)C
InChIInChI=1S/C14H30N2O3S/c1-11(2)16(12(3)4)9-8-15(6)20(17,18)14-7-10-19-13(14)5/h11-14H,7-10H2,1-6H3
InChIKeyVELHOIDDAMVEAZ-UHFFFAOYSA-N
MW306.47 g/mol
LogP1.54
Rot. Bonds7

About N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide

N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide (PubChem CID 86805337) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide
PubChem CID86805337
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide
SMILESCC1OCCC1S(=O)(=O)N(C)CCN(C(C)C)C(C)C
InChIInChI=1S/C14H30N2O3S/c1-11(2)16(12(3)4)9-8-15(6)20(17,18)14-7-10-19-13(14)5/h11-14H,7-10H2,1-6H3
InChIKeyVELHOIDDAMVEAZ-UHFFFAOYSA-N
XLogP1.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide (CID 86805337) is N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide is CC1OCCC1S(=O)(=O)N(C)CCN(C(C)C)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide?
The InChIKey is VELHOIDDAMVEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3S/c1-11(2)16(12(3)4)9-8-15(6)20(17,18)14-7-10-19-13(14)5/h11-14H,7-10H2,1-6H3.
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide?
N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide has a molecular weight of 306.47 g/mol, XLogP of 1.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide is sourced from PubChem (CID 86805337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).