N-[3-[ethylsulfonyl(methyl)amino]propyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C14H28N2O3S — CID 71866989

IUPACN-[3-[ethylsulfonyl(methyl)amino]propyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C14H28N2O3S/c1-7-20(18,19)16(6)10-8-9-15-12(17)11-13(2,3)14(11,4)5/h11H,7-10H2,1-6H3,(H,15,17)
InChIKeyXRHCQFYEZKRBDR-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.46
Rot. Bonds7

About N-[3-[ethylsulfonyl(methyl)amino]propyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-[3-[ethylsulfonyl(methyl)amino]propyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 71866989) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[3-[ethylsulfonyl(methyl)amino]propyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[ethylsulfonyl(methyl)amino]propyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID71866989
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-[3-[ethylsulfonyl(methyl)amino]propyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C14H28N2O3S/c1-7-20(18,19)16(6)10-8-9-15-12(17)11-13(2,3)14(11,4)5/h11H,7-10H2,1-6H3,(H,15,17)
InChIKeyXRHCQFYEZKRBDR-UHFFFAOYSA-N
XLogP1.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.46
H-Bond Donors ≤ 51
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-[3-[ethylsulfonyl(methyl)amino]propyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-[ethylsulfonyl(methyl)amino]propyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 71866989) is N-[3-[ethylsulfonyl(methyl)amino]propyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[ethylsulfonyl(methyl)amino]propyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[ethylsulfonyl(methyl)amino]propyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CCS(=O)(=O)N(C)CCCNC(=O)C1C(C)(C)C1(C)C.
What is the InChIKey of N-[3-[ethylsulfonyl(methyl)amino]propyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is XRHCQFYEZKRBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-7-20(18,19)16(6)10-8-9-15-12(17)11-13(2,3)14(11,4)5/h11H,7-10H2,1-6H3,(H,15,17).
What are the key properties of N-[3-[ethylsulfonyl(methyl)amino]propyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-[3-[ethylsulfonyl(methyl)amino]propyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethylsulfonyl(methyl)amino]propyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 71866989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).