N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]methanesulfonamide

C7H16N2O4S2 — CID 113065281

IUPACN-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]methanesulfonamide
SMILESC=CCN(CCNS(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C7H16N2O4S2/c1-4-6-9(15(3,12)13)7-5-8-14(2,10)11/h4,8H,1,5-7H2,2-3H3
InChIKeyNPMHANLLFPAARL-UHFFFAOYSA-N
MW256.35 g/mol
LogP-1.02
Rot. Bonds7

About N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]methanesulfonamide

N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]methanesulfonamide (PubChem CID 113065281) has the molecular formula C7H16N2O4S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]methanesulfonamide
PubChem CID113065281
Molecular FormulaC7H16N2O4S2
Molecular Weight256.35 g/mol
Exact Mass256.06
IUPAC NameN-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]methanesulfonamide
SMILESC=CCN(CCNS(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C7H16N2O4S2/c1-4-6-9(15(3,12)13)7-5-8-14(2,10)11/h4,8H,1,5-7H2,2-3H3
InChIKeyNPMHANLLFPAARL-UHFFFAOYSA-N
XLogP-1.02
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]methanesulfonamide
CID 141436059
N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]acetamide
CID 58837153
2-chloro-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide
CID 113065331
2,2-dimethyl-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]propanamide
CID 113065214
4-methoxy-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide
CID 113065291
1-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-3-propan-2-ylurea
CID 113065279
N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]methanesulfonamide
CID 113066009
3-[methylsulfonyl(prop-2-enyl)amino]-N-propylpropanamide
CID 113136439
N-(3-methylbut-2-enyl)-N-prop-2-enylmethanesulfonamide
CID 135036402
2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate
CID 139970862
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]methanesulfonamide
CID 113067090
N-methylsulfonyl-N-prop-2-enylmethanesulfonamide
CID 13122211

Frequently Asked Questions

What is the IUPAC name of N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]methanesulfonamide (CID 113065281) is N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]methanesulfonamide is C=CCN(CCNS(C)(=O)=O)S(C)(=O)=O.
What is the InChIKey of N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]methanesulfonamide?
The InChIKey is NPMHANLLFPAARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S2/c1-4-6-9(15(3,12)13)7-5-8-14(2,10)11/h4,8H,1,5-7H2,2-3H3.
What are the key properties of N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]methanesulfonamide?
N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]methanesulfonamide has a molecular weight of 256.35 g/mol, XLogP of -1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 113065281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).