2-amino-N-(1-cyclopropylpiperidin-4-yl)ethanesulfonamide

C10H21N3O2S — CID 66624632

IUPAC2-amino-N-(1-cyclopropylpiperidin-4-yl)ethanesulfonamide
SMILESNCCS(=O)(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C10H21N3O2S/c11-5-8-16(14,15)12-9-3-6-13(7-4-9)10-1-2-10/h9-10,12H,1-8,11H2
InChIKeyWQEBWMQVVGVQQT-UHFFFAOYSA-N
MW247.36 g/mol
LogP-0.51
Rot. Bonds5

About 2-amino-N-(1-cyclopropylpiperidin-4-yl)ethanesulfonamide

2-amino-N-(1-cyclopropylpiperidin-4-yl)ethanesulfonamide (PubChem CID 66624632) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-amino-N-(1-cyclopropylpiperidin-4-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-cyclopropylpiperidin-4-yl)ethanesulfonamide
PubChem CID66624632
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name2-amino-N-(1-cyclopropylpiperidin-4-yl)ethanesulfonamide
SMILESNCCS(=O)(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C10H21N3O2S/c11-5-8-16(14,15)12-9-3-6-13(7-4-9)10-1-2-10/h9-10,12H,1-8,11H2
InChIKeyWQEBWMQVVGVQQT-UHFFFAOYSA-N
XLogP-0.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclopropylpiperidin-4-yl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(1-cyclopropylpiperidin-4-yl)ethanesulfonamide (CID 66624632) is 2-amino-N-(1-cyclopropylpiperidin-4-yl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(1-cyclopropylpiperidin-4-yl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(1-cyclopropylpiperidin-4-yl)ethanesulfonamide is NCCS(=O)(=O)NC1CCN(C2CC2)CC1.
What is the InChIKey of 2-amino-N-(1-cyclopropylpiperidin-4-yl)ethanesulfonamide?
The InChIKey is WQEBWMQVVGVQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c11-5-8-16(14,15)12-9-3-6-13(7-4-9)10-1-2-10/h9-10,12H,1-8,11H2.
What are the key properties of 2-amino-N-(1-cyclopropylpiperidin-4-yl)ethanesulfonamide?
2-amino-N-(1-cyclopropylpiperidin-4-yl)ethanesulfonamide has a molecular weight of 247.36 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclopropylpiperidin-4-yl)ethanesulfonamide is sourced from PubChem (CID 66624632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).