N-tert-butyl-1-sulfamoylcyclopropane-1-carboxamide

C8H16N2O3S — CID 139520569

IUPACN-tert-butyl-1-sulfamoylcyclopropane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1(S(N)(=O)=O)CC1
InChIInChI=1S/C8H16N2O3S/c1-7(2,3)10-6(11)8(4-5-8)14(9,12)13/h4-5H2,1-3H3,(H,10,11)(H2,9,12,13)
InChIKeyXVNAFUCLBGWVLC-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.28
Rot. Bonds2

About N-tert-butyl-1-sulfamoylcyclopropane-1-carboxamide

N-tert-butyl-1-sulfamoylcyclopropane-1-carboxamide (PubChem CID 139520569) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-tert-butyl-1-sulfamoylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-sulfamoylcyclopropane-1-carboxamide
PubChem CID139520569
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-tert-butyl-1-sulfamoylcyclopropane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1(S(N)(=O)=O)CC1
InChIInChI=1S/C8H16N2O3S/c1-7(2,3)10-6(11)8(4-5-8)14(9,12)13/h4-5H2,1-3H3,(H,10,11)(H2,9,12,13)
InChIKeyXVNAFUCLBGWVLC-UHFFFAOYSA-N
XLogP-0.28
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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 N-tert-butyl-1-sulfamoylcyclopropane-1-carboxamide?
The IUPAC name of N-tert-butyl-1-sulfamoylcyclopropane-1-carboxamide (CID 139520569) is N-tert-butyl-1-sulfamoylcyclopropane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-1-sulfamoylcyclopropane-1-carboxamide?
The canonical SMILES for N-tert-butyl-1-sulfamoylcyclopropane-1-carboxamide is CC(C)(C)NC(=O)C1(S(N)(=O)=O)CC1.
What is the InChIKey of N-tert-butyl-1-sulfamoylcyclopropane-1-carboxamide?
The InChIKey is XVNAFUCLBGWVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-7(2,3)10-6(11)8(4-5-8)14(9,12)13/h4-5H2,1-3H3,(H,10,11)(H2,9,12,13).
What are the key properties of N-tert-butyl-1-sulfamoylcyclopropane-1-carboxamide?
N-tert-butyl-1-sulfamoylcyclopropane-1-carboxamide has a molecular weight of 220.29 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-sulfamoylcyclopropane-1-carboxamide is sourced from PubChem (CID 139520569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).