2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-sulfonamide

C14H24N4O2S — CID 65427997

IUPAC2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-sulfonamide
SMILESCN(C)CCN(C1CCCC1)S(=O)(=O)c1cccnc1N
InChIInChI=1S/C14H24N4O2S/c1-17(2)10-11-18(12-6-3-4-7-12)21(19,20)13-8-5-9-16-14(13)15/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3,(H2,15,16)
InChIKeyWLJIMXPOZQMCJT-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.16
Rot. Bonds6

About 2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-sulfonamide

2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-sulfonamide (PubChem CID 65427997) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-sulfonamide
PubChem CID65427997
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-sulfonamide
SMILESCN(C)CCN(C1CCCC1)S(=O)(=O)c1cccnc1N
InChIInChI=1S/C14H24N4O2S/c1-17(2)10-11-18(12-6-3-4-7-12)21(19,20)13-8-5-9-16-14(13)15/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3,(H2,15,16)
InChIKeyWLJIMXPOZQMCJT-UHFFFAOYSA-N
XLogP1.16
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-sulfonamide (CID 65427997) is 2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-sulfonamide is CN(C)CCN(C1CCCC1)S(=O)(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-sulfonamide?
The InChIKey is WLJIMXPOZQMCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-17(2)10-11-18(12-6-3-4-7-12)21(19,20)13-8-5-9-16-14(13)15/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3,(H2,15,16).
What are the key properties of 2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-sulfonamide?
2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 65427997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).