N-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide

C11H24N2O4S — CID 115754309

IUPACN-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide
SMILESCOCCN(CCO)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H24N2O4S/c1-17-11-9-13(8-10-14)18(15,16)12-6-4-2-3-5-7-12/h14H,2-11H2,1H3
InChIKeyGQUQDRBFDKQZMQ-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.05
Rot. Bonds7

About N-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide

N-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide (PubChem CID 115754309) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide
PubChem CID115754309
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC NameN-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide
SMILESCOCCN(CCO)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H24N2O4S/c1-17-11-9-13(8-10-14)18(15,16)12-6-4-2-3-5-7-12/h14H,2-11H2,1H3
InChIKeyGQUQDRBFDKQZMQ-UHFFFAOYSA-N
XLogP0.05
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
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N-(2-hydroxyethyl)-N-prop-2-enylpyrrolidine-1-sulfonamide
CID 115754648
4-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]benzoic acid
CID 154800853
4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide
CID 119990745
3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 63285443
3-[2-methoxyethyl(morpholin-4-ylsulfonyl)amino]propanethioamide
CID 63285308
N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119978540
2-[2-methoxyethyl-[(3R)-3-methylpiperidin-1-yl]sulfonylamino]acetamide
CID 94798810
N-(2-methoxyethyl)-N-(2-methylpropyl)-1,4-diazepane-1-sulfonamide
CID 54986701
N-butyl-N-(2-chloroethyl)azepane-1-sulfonamide
CID 63396937
N'-hydroxy-3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide
CID 76993942

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide (CID 115754309) is N-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide is COCCN(CCO)S(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide?
The InChIKey is GQUQDRBFDKQZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-17-11-9-13(8-10-14)18(15,16)12-6-4-2-3-5-7-12/h14H,2-11H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide?
N-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide has a molecular weight of 280.39 g/mol, XLogP of 0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide is sourced from PubChem (CID 115754309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).