N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide

C7H18N2O2S — CID 62663898

IUPACN-[2-(propan-2-ylamino)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCNC(C)C
InChIInChI=1S/C7H18N2O2S/c1-4-12(10,11)9-6-5-8-7(2)3/h7-9H,4-6H2,1-3H3
InChIKeyMAPQCVSRXTWGQX-UHFFFAOYSA-N
MW194.30 g/mol
LogP-0.08
Rot. Bonds6

About N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide

N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide (PubChem CID 62663898) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(propan-2-ylamino)ethyl]ethanesulfonamide
PubChem CID62663898
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC NameN-[2-(propan-2-ylamino)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCNC(C)C
InChIInChI=1S/C7H18N2O2S/c1-4-12(10,11)9-6-5-8-7(2)3/h7-9H,4-6H2,1-3H3
InChIKeyMAPQCVSRXTWGQX-UHFFFAOYSA-N
XLogP-0.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(propan-2-ylamino)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide (CID 62663898) is N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCNC(C)C.
What is the InChIKey of N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide?
The InChIKey is MAPQCVSRXTWGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-4-12(10,11)9-6-5-8-7(2)3/h7-9H,4-6H2,1-3H3.
What are the key properties of N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide?
N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide has a molecular weight of 194.30 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide is sourced from PubChem (CID 62663898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).