2-[(2,2-dimethyloxan-4-yl)amino]-N-methylethanesulfonamide

C10H22N2O3S — CID 106333827

IUPAC2-[(2,2-dimethyloxan-4-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNC1CCOC(C)(C)C1
InChIInChI=1S/C10H22N2O3S/c1-10(2)8-9(4-6-15-10)12-5-7-16(13,14)11-3/h9,11-12H,4-8H2,1-3H3
InChIKeyFLKNTIDVVRAQIH-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.08
Rot. Bonds5

About 2-[(2,2-dimethyloxan-4-yl)amino]-N-methylethanesulfonamide

2-[(2,2-dimethyloxan-4-yl)amino]-N-methylethanesulfonamide (PubChem CID 106333827) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-[(2,2-dimethyloxan-4-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(2,2-dimethyloxan-4-yl)amino]-N-methylethanesulfonamide
PubChem CID106333827
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name2-[(2,2-dimethyloxan-4-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNC1CCOC(C)(C)C1
InChIInChI=1S/C10H22N2O3S/c1-10(2)8-9(4-6-15-10)12-5-7-16(13,14)11-3/h9,11-12H,4-8H2,1-3H3
InChIKeyFLKNTIDVVRAQIH-UHFFFAOYSA-N
XLogP0.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]butane-2-sulfonamide
CID 139462894
N-(1-oxa-8-azaspiro[4.5]decan-3-yl)propane-2-sulfonamide
CID 163418620
N-(1-oxa-8-azaspiro[4.5]decan-3-yl)ethanesulfonamide;hydrochloride
CID 166150808
N-(1-oxa-8-azaspiro[4.5]decan-3-yl)ethanesulfonamide
CID 166150809
1-ethylsulfonyl-N-(4-methoxy-4-methylpentan-2-yl)piperidin-4-amine
CID 43147235
2-[(4-Methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide
CID 43551690
N-(oxan-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972284
N-methyl-N-(oxan-4-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54972333
N-methyl-N-(oxan-4-yl)-1-piperidin-3-ylmethanesulfonamide
CID 54972334
N-methyl-N-(oxan-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972384
2-[(3-methoxy-1,3-dimethylbutyl)amino]-N,N-dimethylethanesulfonamide
CID 56722886
2-(ethylamino)-N-methyl-N-(oxan-4-yl)ethanesulfonamide
CID 61548020

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyloxan-4-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(2,2-dimethyloxan-4-yl)amino]-N-methylethanesulfonamide (CID 106333827) is 2-[(2,2-dimethyloxan-4-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(2,2-dimethyloxan-4-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(2,2-dimethyloxan-4-yl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNC1CCOC(C)(C)C1.
What is the InChIKey of 2-[(2,2-dimethyloxan-4-yl)amino]-N-methylethanesulfonamide?
The InChIKey is FLKNTIDVVRAQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-10(2)8-9(4-6-15-10)12-5-7-16(13,14)11-3/h9,11-12H,4-8H2,1-3H3.
What are the key properties of 2-[(2,2-dimethyloxan-4-yl)amino]-N-methylethanesulfonamide?
2-[(2,2-dimethyloxan-4-yl)amino]-N-methylethanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyloxan-4-yl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 106333827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).