1-(tert-butylsulfonylamino)cyclopropane-1-carboxamide

C8H16N2O3S — CID 174565484

IUPAC1-(tert-butylsulfonylamino)cyclopropane-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1(C(N)=O)CC1
InChIInChI=1S/C8H16N2O3S/c1-7(2,3)14(12,13)10-8(4-5-8)6(9)11/h10H,4-5H2,1-3H3,(H2,9,11)
InChIKeyDPJXBIYQNPUVGP-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.28
Rot. Bonds3

About 1-(tert-butylsulfonylamino)cyclopropane-1-carboxamide

1-(tert-butylsulfonylamino)cyclopropane-1-carboxamide (PubChem CID 174565484) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-(tert-butylsulfonylamino)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(tert-butylsulfonylamino)cyclopropane-1-carboxamide
PubChem CID174565484
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name1-(tert-butylsulfonylamino)cyclopropane-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1(C(N)=O)CC1
InChIInChI=1S/C8H16N2O3S/c1-7(2,3)14(12,13)10-8(4-5-8)6(9)11/h10H,4-5H2,1-3H3,(H2,9,11)
InChIKeyDPJXBIYQNPUVGP-UHFFFAOYSA-N
XLogP-0.28
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfonylamino)cyclopropane-1-carboxamide?
The IUPAC name of 1-(tert-butylsulfonylamino)cyclopropane-1-carboxamide (CID 174565484) is 1-(tert-butylsulfonylamino)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(tert-butylsulfonylamino)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(tert-butylsulfonylamino)cyclopropane-1-carboxamide is CC(C)(C)S(=O)(=O)NC1(C(N)=O)CC1.
What is the InChIKey of 1-(tert-butylsulfonylamino)cyclopropane-1-carboxamide?
The InChIKey is DPJXBIYQNPUVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-7(2,3)14(12,13)10-8(4-5-8)6(9)11/h10H,4-5H2,1-3H3,(H2,9,11).
What are the key properties of 1-(tert-butylsulfonylamino)cyclopropane-1-carboxamide?
1-(tert-butylsulfonylamino)cyclopropane-1-carboxamide has a molecular weight of 220.29 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylsulfonylamino)cyclopropane-1-carboxamide is sourced from PubChem (CID 174565484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).