N-[2-(but-3-ynylamino)ethyl]methanesulfonamide

C7H14N2O2S — CID 63655454

IUPACN-[2-(but-3-ynylamino)ethyl]methanesulfonamide
SMILESC#CCCNCCNS(C)(=O)=O
InChIInChI=1S/C7H14N2O2S/c1-3-4-5-8-6-7-9-12(2,10)11/h1,8-9H,4-7H2,2H3
InChIKeyREMXSUGQJCOVNN-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.85
Rot. Bonds6

About N-[2-(but-3-ynylamino)ethyl]methanesulfonamide

N-[2-(but-3-ynylamino)ethyl]methanesulfonamide (PubChem CID 63655454) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is N-[2-(but-3-ynylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(but-3-ynylamino)ethyl]methanesulfonamide
PubChem CID63655454
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC NameN-[2-(but-3-ynylamino)ethyl]methanesulfonamide
SMILESC#CCCNCCNS(C)(=O)=O
InChIInChI=1S/C7H14N2O2S/c1-3-4-5-8-6-7-9-12(2,10)11/h1,8-9H,4-7H2,2H3
InChIKeyREMXSUGQJCOVNN-UHFFFAOYSA-N
XLogP-0.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methylsulfonylpropylamino)ethyl]methanesulfonamide
CID 63190802
N-[2-[2-(dimethylamino)ethylamino]ethyl]methanesulfonamide
CID 43546052
N-[2-(2-methylpropylamino)ethyl]methanesulfonamide
CID 28731714
N-but-3-ynylpent-3-yn-1-amine
CID 104806965
N-ethylbut-3-yn-1-amine;phosphane
CID 143703444
N-[2-[(2-prop-2-ynoxyphenyl)methylamino]ethyl]methanesulfonamide
CID 28732455
N-[2-[2-(4-methylpiperazin-1-yl)ethylamino]ethyl]methanesulfonamide
CID 82888935
N-[2-[2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethylamino]ethyl]-2-methylprop-2-enamide
CID 139973185
5-methylsulfonylpent-1-yne
CID 59842148
N-[2-(2-methylidenebutylamino)ethyl]methanesulfonamide
CID 66047591
N-[2-(3-phenylpropylamino)ethyl]methanesulfonamide
CID 40718580
N-[3-(pentylamino)propyl]methanesulfonamide
CID 106333021

Frequently Asked Questions

What is the IUPAC name of N-[2-(but-3-ynylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(but-3-ynylamino)ethyl]methanesulfonamide (CID 63655454) is N-[2-(but-3-ynylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(but-3-ynylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(but-3-ynylamino)ethyl]methanesulfonamide is C#CCCNCCNS(C)(=O)=O.
What is the InChIKey of N-[2-(but-3-ynylamino)ethyl]methanesulfonamide?
The InChIKey is REMXSUGQJCOVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-3-4-5-8-6-7-9-12(2,10)11/h1,8-9H,4-7H2,2H3.
What are the key properties of N-[2-(but-3-ynylamino)ethyl]methanesulfonamide?
N-[2-(but-3-ynylamino)ethyl]methanesulfonamide has a molecular weight of 190.27 g/mol, XLogP of -0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(but-3-ynylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 63655454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).