3-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide

C10H23N3O2S — CID 63207731

IUPAC3-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide
SMILESCN(CCN1CCCC1)S(=O)(=O)CCCN
InChIInChI=1S/C10H23N3O2S/c1-12(16(14,15)10-4-5-11)8-9-13-6-2-3-7-13/h2-11H2,1H3
InChIKeyHGSZAKVPENSKDB-UHFFFAOYSA-N
MW249.38 g/mol
LogP-0.31
Rot. Bonds7

About 3-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide

3-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide (PubChem CID 63207731) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide
PubChem CID63207731
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name3-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide
SMILESCN(CCN1CCCC1)S(=O)(=O)CCCN
InChIInChI=1S/C10H23N3O2S/c1-12(16(14,15)10-4-5-11)8-9-13-6-2-3-7-13/h2-11H2,1H3
InChIKeyHGSZAKVPENSKDB-UHFFFAOYSA-N
XLogP-0.31
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide (CID 63207731) is 3-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide is CN(CCN1CCCC1)S(=O)(=O)CCCN.
What is the InChIKey of 3-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide?
The InChIKey is HGSZAKVPENSKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-12(16(14,15)10-4-5-11)8-9-13-6-2-3-7-13/h2-11H2,1H3.
What are the key properties of 3-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide?
3-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of -0.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)propane-1-sulfonamide is sourced from PubChem (CID 63207731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).