N-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide

C10H22N2O3S — CID 119973445

IUPACN-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide
SMILESCCNCCNS(=O)(=O)CC1CCCCO1
InChIInChI=1S/C10H22N2O3S/c1-2-11-6-7-12-16(13,14)9-10-5-3-4-8-15-10/h10-12H,2-9H2,1H3
InChIKeySLNJKSZXKQBUMG-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.08
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide

N-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide (PubChem CID 119973445) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide
PubChem CID119973445
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide
SMILESCCNCCNS(=O)(=O)CC1CCCCO1
InChIInChI=1S/C10H22N2O3S/c1-2-11-6-7-12-16(13,14)9-10-5-3-4-8-15-10/h10-12H,2-9H2,1H3
InChIKeySLNJKSZXKQBUMG-UHFFFAOYSA-N
XLogP0.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide (CID 119973445) is N-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide is CCNCCNS(=O)(=O)CC1CCCCO1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide?
The InChIKey is SLNJKSZXKQBUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-2-11-6-7-12-16(13,14)9-10-5-3-4-8-15-10/h10-12H,2-9H2,1H3.
What are the key properties of N-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide?
N-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide is sourced from PubChem (CID 119973445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).