N-tert-butylsulfonylcyclopropanecarboxamide

C8H15NO3S — CID 130840354

IUPACN-tert-butylsulfonylcyclopropanecarboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)C1CC1
InChIInChI=1S/C8H15NO3S/c1-8(2,3)13(11,12)9-7(10)6-4-5-6/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyWKDHTBOUIQQALV-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.64
Rot. Bonds2

About N-tert-butylsulfonylcyclopropanecarboxamide

N-tert-butylsulfonylcyclopropanecarboxamide (PubChem CID 130840354) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is N-tert-butylsulfonylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-tert-butylsulfonylcyclopropanecarboxamide
PubChem CID130840354
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC NameN-tert-butylsulfonylcyclopropanecarboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)C1CC1
InChIInChI=1S/C8H15NO3S/c1-8(2,3)13(11,12)9-7(10)6-4-5-6/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyWKDHTBOUIQQALV-UHFFFAOYSA-N
XLogP0.64
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonylcyclopropanecarboxamide?
The IUPAC name of N-tert-butylsulfonylcyclopropanecarboxamide (CID 130840354) is N-tert-butylsulfonylcyclopropanecarboxamide.
What is the SMILES notation for N-tert-butylsulfonylcyclopropanecarboxamide?
The canonical SMILES for N-tert-butylsulfonylcyclopropanecarboxamide is CC(C)(C)S(=O)(=O)NC(=O)C1CC1.
What is the InChIKey of N-tert-butylsulfonylcyclopropanecarboxamide?
The InChIKey is WKDHTBOUIQQALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-8(2,3)13(11,12)9-7(10)6-4-5-6/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of N-tert-butylsulfonylcyclopropanecarboxamide?
N-tert-butylsulfonylcyclopropanecarboxamide has a molecular weight of 205.28 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfonylcyclopropanecarboxamide is sourced from PubChem (CID 130840354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).