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

C14H30N2O3S — CID 129408206

IUPAC(2S,3R)-N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide
SMILESCC(C)N(CCN(C)S(=O)(=O)[C@@H]1CCO[C@H]1C)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/t13-,14+/m0/s1
InChIKeyVELHOIDDAMVEAZ-UONOGXRCSA-N
MW306.47 g/mol
LogP1.54
Rot. Bonds7

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

(2S,3R)-N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide (PubChem CID 129408206) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is (2S,3R)-N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide.

Molecular Properties

Compound Name(2S,3R)-N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide
PubChem CID129408206
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC Name(2S,3R)-N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide
SMILESCC(C)N(CCN(C)S(=O)(=O)[C@@H]1CCO[C@H]1C)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/t13-,14+/m0/s1
InChIKeyVELHOIDDAMVEAZ-UONOGXRCSA-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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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide
CID 86805337
N-ethyl-N,2-dimethyloxolane-3-sulfonamide
CID 130637229
3-(chloromethylsulfonyl)-2-methyloxolane
CID 107746968
4-(2-methyloxolan-3-yl)sulfonylpentan-2-amine
CID 107758142
2-methyloxolane-3-sulfonyl fluoride
CID 165460627
(2R,3S)-2-methyloxolane-3-sulfonyl chloride
CID 98113530
3-ethenylsulfonyl-2-methyloxolane
CID 107746971
4-(2-methyloxolan-3-yl)sulfonylpentan-2-one
CID 107764075
N-methyl-3-(2-methyloxolan-3-yl)sulfonylbutan-2-amine
CID 107758086
3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane
CID 107764097
1-cyclopropyl-2-(2-methyloxolan-3-yl)sulfonylethanamine
CID 107758059
2-(2-methyloxolan-3-yl)sulfonylbutan-1-amine
CID 107756995

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide?
The IUPAC name of (2S,3R)-N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide (CID 129408206) is (2S,3R)-N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide.
What is the SMILES notation for (2S,3R)-N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide?
The canonical SMILES for (2S,3R)-N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide is CC(C)N(CCN(C)S(=O)(=O)[C@@H]1CCO[C@H]1C)C(C)C.
What is the InChIKey of (2S,3R)-N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide?
The InChIKey is VELHOIDDAMVEAZ-UONOGXRCSA-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/t13-,14+/m0/s1.
What are the key properties of (2S,3R)-N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide?
(2S,3R)-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 (2S,3R)-N-[2-[di(propan-2-yl)amino]ethyl]-N,2-dimethyloxolane-3-sulfonamide is sourced from PubChem (CID 129408206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).