2-amino-N-methyl-N-(oxan-4-yl)ethanesulfonamide

C8H18N2O3S — CID 43610995

IUPAC2-amino-N-methyl-N-(oxan-4-yl)ethanesulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)CCN
InChIInChI=1S/C8H18N2O3S/c1-10(14(11,12)7-4-9)8-2-5-13-6-3-8/h8H,2-7,9H2,1H3
InChIKeyCQUOKSTWSQSPIQ-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.61
Rot. Bonds4

About 2-amino-N-methyl-N-(oxan-4-yl)ethanesulfonamide

2-amino-N-methyl-N-(oxan-4-yl)ethanesulfonamide (PubChem CID 43610995) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(oxan-4-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(oxan-4-yl)ethanesulfonamide
PubChem CID43610995
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name2-amino-N-methyl-N-(oxan-4-yl)ethanesulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)CCN
InChIInChI=1S/C8H18N2O3S/c1-10(14(11,12)7-4-9)8-2-5-13-6-3-8/h8H,2-7,9H2,1H3
InChIKeyCQUOKSTWSQSPIQ-UHFFFAOYSA-N
XLogP-0.61
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[oxan-4-yl(propan-2-yl)amino]ethyl]ethanesulfonamide
CID 72003186
N-[2-[butan-2-yl(methyl)amino]ethyl]oxane-4-sulfonamide
CID 56803800
N-(oxan-4-yl)propane-2-sulfonamide
CID 61355877
N-(Oxan-4-YL)ethane-1-sulfonamide
CID 61356037
N-(oxan-4-yl)propane-1-sulfonamide
CID 61384178
N-isopropyltetrahydro-2H-pyran-4-sulfonamide
CID 64295375
3-Methyl-1-(oxan-4-ylsulfonyl)piperazine
CID 65448066
N-methyl-N-(oxan-4-yl)cyclopropanesulfonamide
CID 70819457
N-(oxan-4-yl)butane-1-sulfonamide
CID 110726870
N-(oxan-4-yl)heptane-1-sulfonamide
CID 138655802
2-(Oxan-4-ylamino)ethanesulfonate
CID 153294193
N-(oxan-4-yl)hexane-1-sulfonamide
CID 155392193

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(oxan-4-yl)ethanesulfonamide?
The IUPAC name of 2-amino-N-methyl-N-(oxan-4-yl)ethanesulfonamide (CID 43610995) is 2-amino-N-methyl-N-(oxan-4-yl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-N-(oxan-4-yl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-methyl-N-(oxan-4-yl)ethanesulfonamide is CN(C1CCOCC1)S(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-methyl-N-(oxan-4-yl)ethanesulfonamide?
The InChIKey is CQUOKSTWSQSPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-10(14(11,12)7-4-9)8-2-5-13-6-3-8/h8H,2-7,9H2,1H3.
What are the key properties of 2-amino-N-methyl-N-(oxan-4-yl)ethanesulfonamide?
2-amino-N-methyl-N-(oxan-4-yl)ethanesulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(oxan-4-yl)ethanesulfonamide is sourced from PubChem (CID 43610995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).