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

C6H16N2O2S — CID 40605753

IUPACN-[2-(propan-2-ylamino)ethyl]methanesulfonamide
SMILESCC(C)NCCNS(C)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-6(2)7-4-5-8-11(3,9)10/h6-8H,4-5H2,1-3H3
InChIKeyLGKTYWLWZMMWMP-UHFFFAOYSA-N
MW180.27 g/mol
LogP-0.47
Rot. Bonds5

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

N-[2-(propan-2-ylamino)ethyl]methanesulfonamide (PubChem CID 40605753) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is N-[2-(propan-2-ylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(propan-2-ylamino)ethyl]methanesulfonamide
PubChem CID40605753
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC NameN-[2-(propan-2-ylamino)ethyl]methanesulfonamide
SMILESCC(C)NCCNS(C)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-6(2)7-4-5-8-11(3,9)10/h6-8H,4-5H2,1-3H3
InChIKeyLGKTYWLWZMMWMP-UHFFFAOYSA-N
XLogP-0.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 5-0.47
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]methanesulfonamide?
The IUPAC name of N-[2-(propan-2-ylamino)ethyl]methanesulfonamide (CID 40605753) is N-[2-(propan-2-ylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(propan-2-ylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(propan-2-ylamino)ethyl]methanesulfonamide is CC(C)NCCNS(C)(=O)=O.
What is the InChIKey of N-[2-(propan-2-ylamino)ethyl]methanesulfonamide?
The InChIKey is LGKTYWLWZMMWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-6(2)7-4-5-8-11(3,9)10/h6-8H,4-5H2,1-3H3.
What are the key properties of N-[2-(propan-2-ylamino)ethyl]methanesulfonamide?
N-[2-(propan-2-ylamino)ethyl]methanesulfonamide has a molecular weight of 180.27 g/mol, XLogP of -0.47, 5 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]methanesulfonamide is sourced from PubChem (CID 40605753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).