N-[2-(oxan-4-ylamino)ethyl]methanesulfonamide

C8H18N2O3S — CID 43608588

IUPACN-[2-(oxan-4-ylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC1CCOCC1
InChIInChI=1S/C8H18N2O3S/c1-14(11,12)10-5-4-9-8-2-6-13-7-3-8/h8-10H,2-7H2,1H3
InChIKeyQQVWBSMCRKWYFR-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.70
Rot. Bonds5

About N-[2-(oxan-4-ylamino)ethyl]methanesulfonamide

N-[2-(oxan-4-ylamino)ethyl]methanesulfonamide (PubChem CID 43608588) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[2-(oxan-4-ylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(oxan-4-ylamino)ethyl]methanesulfonamide
PubChem CID43608588
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-[2-(oxan-4-ylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC1CCOCC1
InChIInChI=1S/C8H18N2O3S/c1-14(11,12)10-5-4-9-8-2-6-13-7-3-8/h8-10H,2-7H2,1H3
InChIKeyQQVWBSMCRKWYFR-UHFFFAOYSA-N
XLogP-0.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.70
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-(oxan-4-ylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(oxan-4-ylamino)ethyl]methanesulfonamide (CID 43608588) is N-[2-(oxan-4-ylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(oxan-4-ylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(oxan-4-ylamino)ethyl]methanesulfonamide is CS(=O)(=O)NCCNC1CCOCC1.
What is the InChIKey of N-[2-(oxan-4-ylamino)ethyl]methanesulfonamide?
The InChIKey is QQVWBSMCRKWYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-14(11,12)10-5-4-9-8-2-6-13-7-3-8/h8-10H,2-7H2,1H3.
What are the key properties of N-[2-(oxan-4-ylamino)ethyl]methanesulfonamide?
N-[2-(oxan-4-ylamino)ethyl]methanesulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-4-ylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 43608588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).