N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide

C8H16N2O3S — CID 58837145

IUPACN-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide
SMILESCC(=O)NCCN(C1CC1)S(C)(=O)=O
InChIInChI=1S/C8H16N2O3S/c1-7(11)9-5-6-10(8-3-4-8)14(2,12)13/h8H,3-6H2,1-2H3,(H,9,11)
InChIKeyKKUHWCGIKMWCIH-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.45
Rot. Bonds5

About N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide

N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide (PubChem CID 58837145) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide
PubChem CID58837145
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide
SMILESCC(=O)NCCN(C1CC1)S(C)(=O)=O
InChIInChI=1S/C8H16N2O3S/c1-7(11)9-5-6-10(8-3-4-8)14(2,12)13/h8H,3-6H2,1-2H3,(H,9,11)
InChIKeyKKUHWCGIKMWCIH-UHFFFAOYSA-N
XLogP-0.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide (CID 58837145) is N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide is CC(=O)NCCN(C1CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide?
The InChIKey is KKUHWCGIKMWCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-7(11)9-5-6-10(8-3-4-8)14(2,12)13/h8H,3-6H2,1-2H3,(H,9,11).
What are the key properties of N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide?
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide has a molecular weight of 220.29 g/mol, XLogP of -0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide is sourced from PubChem (CID 58837145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).