3-amino-N-tert-butylpropane-1-sulfonamide

C7H18N2O2S — CID 60909676

IUPAC3-amino-N-tert-butylpropane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)CCCN
InChIInChI=1S/C7H18N2O2S/c1-7(2,3)9-12(10,11)6-4-5-8/h9H,4-6,8H2,1-3H3
InChIKeySEIQOORFFDKCHO-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.05
Rot. Bonds4

About 3-amino-N-tert-butylpropane-1-sulfonamide

3-amino-N-tert-butylpropane-1-sulfonamide (PubChem CID 60909676) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 3-amino-N-tert-butylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-tert-butylpropane-1-sulfonamide
PubChem CID60909676
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC Name3-amino-N-tert-butylpropane-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)CCCN
InChIInChI=1S/C7H18N2O2S/c1-7(2,3)9-12(10,11)6-4-5-8/h9H,4-6,8H2,1-3H3
InChIKeySEIQOORFFDKCHO-UHFFFAOYSA-N
XLogP0.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-tert-butylpropane-1-sulfonamide?
The IUPAC name of 3-amino-N-tert-butylpropane-1-sulfonamide (CID 60909676) is 3-amino-N-tert-butylpropane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-tert-butylpropane-1-sulfonamide?
The canonical SMILES for 3-amino-N-tert-butylpropane-1-sulfonamide is CC(C)(C)NS(=O)(=O)CCCN.
What is the InChIKey of 3-amino-N-tert-butylpropane-1-sulfonamide?
The InChIKey is SEIQOORFFDKCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-7(2,3)9-12(10,11)6-4-5-8/h9H,4-6,8H2,1-3H3.
What are the key properties of 3-amino-N-tert-butylpropane-1-sulfonamide?
3-amino-N-tert-butylpropane-1-sulfonamide has a molecular weight of 194.30 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-tert-butylpropane-1-sulfonamide is sourced from PubChem (CID 60909676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).