2-amino-N-(2-hydroxyethyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide

C12H27N3O3S — CID 68821541

IUPAC2-amino-N-(2-hydroxyethyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide
SMILESCC(C)N1CCC(N(CCO)S(=O)(=O)CCN)CC1
InChIInChI=1S/C12H27N3O3S/c1-11(2)14-6-3-12(4-7-14)15(8-9-16)19(17,18)10-5-13/h11-12,16H,3-10,13H2,1-2H3
InChIKeyIIXZGDXWYCJHPW-UHFFFAOYSA-N
MW293.43 g/mol
LogP-0.56
Rot. Bonds7

About 2-amino-N-(2-hydroxyethyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide

2-amino-N-(2-hydroxyethyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide (PubChem CID 68821541) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide
PubChem CID68821541
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC Name2-amino-N-(2-hydroxyethyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide
SMILESCC(C)N1CCC(N(CCO)S(=O)(=O)CCN)CC1
InChIInChI=1S/C12H27N3O3S/c1-11(2)14-6-3-12(4-7-14)15(8-9-16)19(17,18)10-5-13/h11-12,16H,3-10,13H2,1-2H3
InChIKeyIIXZGDXWYCJHPW-UHFFFAOYSA-N
XLogP-0.56
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide (CID 68821541) is 2-amino-N-(2-hydroxyethyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide is CC(C)N1CCC(N(CCO)S(=O)(=O)CCN)CC1.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide?
The InChIKey is IIXZGDXWYCJHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-11(2)14-6-3-12(4-7-14)15(8-9-16)19(17,18)10-5-13/h11-12,16H,3-10,13H2,1-2H3.
What are the key properties of 2-amino-N-(2-hydroxyethyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide?
2-amino-N-(2-hydroxyethyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide has a molecular weight of 293.43 g/mol, XLogP of -0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyethyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide is sourced from PubChem (CID 68821541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).