N-[2-[[(2R)-3-methylbutan-2-yl]amino]ethyl]methanesulfonamide

C8H20N2O2S — CID 28731973

IUPACN-[2-[[(2R)-3-methylbutan-2-yl]amino]ethyl]methanesulfonamide
SMILESCC(C)[C@@H](C)NCCNS(C)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-7(2)8(3)9-5-6-10-13(4,11)12/h7-10H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyZJWPJFXOHIEDGA-MRVPVSSYSA-N
MW208.33 g/mol
LogP0.17
Rot. Bonds6

About N-[2-[[(2R)-3-methylbutan-2-yl]amino]ethyl]methanesulfonamide

N-[2-[[(2R)-3-methylbutan-2-yl]amino]ethyl]methanesulfonamide (PubChem CID 28731973) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-[2-[[(2R)-3-methylbutan-2-yl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[(2R)-3-methylbutan-2-yl]amino]ethyl]methanesulfonamide
PubChem CID28731973
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC NameN-[2-[[(2R)-3-methylbutan-2-yl]amino]ethyl]methanesulfonamide
SMILESCC(C)[C@@H](C)NCCNS(C)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-7(2)8(3)9-5-6-10-13(4,11)12/h7-10H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyZJWPJFXOHIEDGA-MRVPVSSYSA-N
XLogP0.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.17
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'-hydroxy-2-[2-(methanesulfonamido)ethylamino]propanimidamide
CID 77029418
N-[2-(2-methylpropylamino)ethyl]methanesulfonamide
CID 28731714
N-(5-methylhexyl)methanesulfonamide
CID 58970685
2-[3-(methanesulfonamido)propylamino]-3-methylbutanoic acid
CID 106340207
N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]methanesulfonamide
CID 115713369
N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]methanesulfonamide
CID 43545989
N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]methanesulfonamide
CID 170639490
N-[2-(1-naphthalen-1-ylethylamino)ethyl]methanesulfonamide
CID 43208119
N-[2-(1-naphthalen-2-ylethylamino)ethyl]methanesulfonamide
CID 43208132
N-(2-aminoethyl)methanesulfonamide
CID 158725113
N-(2-hydroxyethyl)methanesulfonamide
CID 11389425
3-chloro-N-[2-(methanesulfonamido)ethyl]-2-methylpropanamide
CID 62728659

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-3-methylbutan-2-yl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[(2R)-3-methylbutan-2-yl]amino]ethyl]methanesulfonamide (CID 28731973) is N-[2-[[(2R)-3-methylbutan-2-yl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[(2R)-3-methylbutan-2-yl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[(2R)-3-methylbutan-2-yl]amino]ethyl]methanesulfonamide is CC(C)[C@@H](C)NCCNS(C)(=O)=O.
What is the InChIKey of N-[2-[[(2R)-3-methylbutan-2-yl]amino]ethyl]methanesulfonamide?
The InChIKey is ZJWPJFXOHIEDGA-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-7(2)8(3)9-5-6-10-13(4,11)12/h7-10H,5-6H2,1-4H3/t8-/m1/s1.
What are the key properties of N-[2-[[(2R)-3-methylbutan-2-yl]amino]ethyl]methanesulfonamide?
N-[2-[[(2R)-3-methylbutan-2-yl]amino]ethyl]methanesulfonamide has a molecular weight of 208.33 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-3-methylbutan-2-yl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 28731973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).