3-tert-butylsulfonylpropan-1-amine

C7H17NO2S — CID 21458678

IUPAC3-tert-butylsulfonylpropan-1-amine
SMILESCC(C)(C)S(=O)(=O)CCCN
InChIInChI=1S/C7H17NO2S/c1-7(2,3)11(9,10)6-4-5-8/h4-6,8H2,1-3H3
InChIKeyDZWNLAUNILSEHN-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.55
Rot. Bonds3

About 3-tert-butylsulfonylpropan-1-amine

3-tert-butylsulfonylpropan-1-amine (PubChem CID 21458678) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is 3-tert-butylsulfonylpropan-1-amine.

Molecular Properties

Compound Name3-tert-butylsulfonylpropan-1-amine
PubChem CID21458678
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name3-tert-butylsulfonylpropan-1-amine
SMILESCC(C)(C)S(=O)(=O)CCCN
InChIInChI=1S/C7H17NO2S/c1-7(2,3)11(9,10)6-4-5-8/h4-6,8H2,1-3H3
InChIKeyDZWNLAUNILSEHN-UHFFFAOYSA-N
XLogP0.55
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-tert-butylsulfonylpropan-1-amine 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 3-tert-butylsulfonylpropan-1-amine?
The IUPAC name of 3-tert-butylsulfonylpropan-1-amine (CID 21458678) is 3-tert-butylsulfonylpropan-1-amine.
What is the SMILES notation for 3-tert-butylsulfonylpropan-1-amine?
The canonical SMILES for 3-tert-butylsulfonylpropan-1-amine is CC(C)(C)S(=O)(=O)CCCN.
What is the InChIKey of 3-tert-butylsulfonylpropan-1-amine?
The InChIKey is DZWNLAUNILSEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-7(2,3)11(9,10)6-4-5-8/h4-6,8H2,1-3H3.
What are the key properties of 3-tert-butylsulfonylpropan-1-amine?
3-tert-butylsulfonylpropan-1-amine has a molecular weight of 179.28 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfonylpropan-1-amine is sourced from PubChem (CID 21458678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).