N-[2-(2-methylpropylamino)ethyl]methanesulfonamide

C7H18N2O2S — CID 28731714

IUPACN-[2-(2-methylpropylamino)ethyl]methanesulfonamide
SMILESCC(C)CNCCNS(C)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-7(2)6-8-4-5-9-12(3,10)11/h7-9H,4-6H2,1-3H3
InChIKeyIGOZDFZFVJLZMD-UHFFFAOYSA-N
MW194.30 g/mol
LogP-0.22
Rot. Bonds6

About N-[2-(2-methylpropylamino)ethyl]methanesulfonamide

N-[2-(2-methylpropylamino)ethyl]methanesulfonamide (PubChem CID 28731714) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N-[2-(2-methylpropylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylpropylamino)ethyl]methanesulfonamide
PubChem CID28731714
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC NameN-[2-(2-methylpropylamino)ethyl]methanesulfonamide
SMILESCC(C)CNCCNS(C)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-7(2)6-8-4-5-9-12(3,10)11/h7-9H,4-6H2,1-3H3
InChIKeyIGOZDFZFVJLZMD-UHFFFAOYSA-N
XLogP-0.22
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 ≤ 5-0.22
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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Related Compounds

N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
N-[2-(2,2-diethoxyethylamino)ethyl]methanesulfonamide
CID 81095053
N-(2-methylpropyl)-N'-(2-methylsulfonylpropyl)propane-1,3-diamine
CID 104519219
N-ethyl-2-(2-methylpropylamino)ethanesulfonamide
CID 115876342
N-[3-(2-methylpropylamino)propyl]ethanesulfonamide
CID 115876188
N-(5-methylhexyl)methanesulfonamide
CID 58970685
N-[2-[[(2R)-3-methylbutan-2-yl]amino]ethyl]methanesulfonamide
CID 28731973
N-[2-(3-methylsulfonylpropylamino)ethyl]methanesulfonamide
CID 63190802
N-[2-[2-(dimethylamino)ethylamino]ethyl]methanesulfonamide
CID 43546052
N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide
CID 60909200
N-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
CID 54938767
N-[3-(2,2-dimethoxyethylamino)propyl]methanesulfonamide
CID 106332723

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(2-methylpropylamino)ethyl]methanesulfonamide (CID 28731714) is N-[2-(2-methylpropylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2-methylpropylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2-methylpropylamino)ethyl]methanesulfonamide is CC(C)CNCCNS(C)(=O)=O.
What is the InChIKey of N-[2-(2-methylpropylamino)ethyl]methanesulfonamide?
The InChIKey is IGOZDFZFVJLZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-7(2)6-8-4-5-9-12(3,10)11/h7-9H,4-6H2,1-3H3.
What are the key properties of N-[2-(2-methylpropylamino)ethyl]methanesulfonamide?
N-[2-(2-methylpropylamino)ethyl]methanesulfonamide has a molecular weight of 194.30 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 28731714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).