N-(2-aminoethyl)-N-ethyloxane-4-sulfonamide

C9H20N2O3S — CID 62048421

IUPACN-(2-aminoethyl)-N-ethyloxane-4-sulfonamide
SMILESCCN(CCN)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C9H20N2O3S/c1-2-11(6-5-10)15(12,13)9-3-7-14-8-4-9/h9H,2-8,10H2,1H3
InChIKeyDNSSFSKIGQLGNJ-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.22
Rot. Bonds5

About N-(2-aminoethyl)-N-ethyloxane-4-sulfonamide

N-(2-aminoethyl)-N-ethyloxane-4-sulfonamide (PubChem CID 62048421) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-ethyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-ethyloxane-4-sulfonamide
PubChem CID62048421
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-(2-aminoethyl)-N-ethyloxane-4-sulfonamide
SMILESCCN(CCN)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C9H20N2O3S/c1-2-11(6-5-10)15(12,13)9-3-7-14-8-4-9/h9H,2-8,10H2,1H3
InChIKeyDNSSFSKIGQLGNJ-UHFFFAOYSA-N
XLogP-0.22
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-ethylcyclopropanesulfonamide
CID 64554481
N-(3-amino-2-methylpropyl)-N-ethyloxane-4-sulfonamide
CID 62048608
N-(2-aminoethyl)-N-propylcyclopentanesulfonamide
CID 105360476
N-(2-bromoethyl)-N-propyloxane-4-sulfonamide
CID 80672077
N-(2-aminoethyl)-N-(2,2-difluoroethyl)cyclopropanesulfonamide
CID 107493817
N-(3-amino-2-methylpropyl)-N-ethylcyclopropanesulfonamide
CID 64554271
ethyl 3-[methyl(oxan-4-ylsulfonyl)amino]propanoate
CID 62048458
N-ethyl-N-(2-hydroxyethyl)-1,1-dioxothiane-4-sulfonamide
CID 62086021
ethyl-imino-(oxan-4-yl)-oxo-λ6-sulfane
CID 165438824
N-(2-aminoethyl)-N-methylcyclopentanesulfonamide
CID 83701794
N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-sulfonamide
CID 62050109
ethyl 2-[oxan-4-ylsulfonyl(propan-2-yl)amino]acetate
CID 62047555

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-ethyloxane-4-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-ethyloxane-4-sulfonamide (CID 62048421) is N-(2-aminoethyl)-N-ethyloxane-4-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-ethyloxane-4-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-ethyloxane-4-sulfonamide is CCN(CCN)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(2-aminoethyl)-N-ethyloxane-4-sulfonamide?
The InChIKey is DNSSFSKIGQLGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-2-11(6-5-10)15(12,13)9-3-7-14-8-4-9/h9H,2-8,10H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-ethyloxane-4-sulfonamide?
N-(2-aminoethyl)-N-ethyloxane-4-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-ethyloxane-4-sulfonamide is sourced from PubChem (CID 62048421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).