1-(aminomethyl)-N-tert-butylcyclopropane-1-sulfonamide

C8H18N2O2S — CID 126827738

IUPAC1-(aminomethyl)-N-tert-butylcyclopropane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1(CN)CC1
InChIInChI=1S/C8H18N2O2S/c1-7(2,3)10-13(11,12)8(6-9)4-5-8/h10H,4-6,9H2,1-3H3
InChIKeyQUHQAFFCZYQDOJ-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.20
Rot. Bonds3

About 1-(aminomethyl)-N-tert-butylcyclopropane-1-sulfonamide

1-(aminomethyl)-N-tert-butylcyclopropane-1-sulfonamide (PubChem CID 126827738) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-(aminomethyl)-N-tert-butylcyclopropane-1-sulfonamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-tert-butylcyclopropane-1-sulfonamide
PubChem CID126827738
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-(aminomethyl)-N-tert-butylcyclopropane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)C1(CN)CC1
InChIInChI=1S/C8H18N2O2S/c1-7(2,3)10-13(11,12)8(6-9)4-5-8/h10H,4-6,9H2,1-3H3
InChIKeyQUHQAFFCZYQDOJ-UHFFFAOYSA-N
XLogP0.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-tert-butylcyclopropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-tert-butylcyclopropane-1-sulfonamide?
The IUPAC name of 1-(aminomethyl)-N-tert-butylcyclopropane-1-sulfonamide (CID 126827738) is 1-(aminomethyl)-N-tert-butylcyclopropane-1-sulfonamide.
What is the SMILES notation for 1-(aminomethyl)-N-tert-butylcyclopropane-1-sulfonamide?
The canonical SMILES for 1-(aminomethyl)-N-tert-butylcyclopropane-1-sulfonamide is CC(C)(C)NS(=O)(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-tert-butylcyclopropane-1-sulfonamide?
The InChIKey is QUHQAFFCZYQDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7(2,3)10-13(11,12)8(6-9)4-5-8/h10H,4-6,9H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-tert-butylcyclopropane-1-sulfonamide?
1-(aminomethyl)-N-tert-butylcyclopropane-1-sulfonamide has a molecular weight of 206.31 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-tert-butylcyclopropane-1-sulfonamide is sourced from PubChem (CID 126827738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).