2-amino-N-(5-methyl-1,3-thiazol-2-yl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide

C14H26N4O2S2 — CID 68822894

IUPAC2-amino-N-(5-methyl-1,3-thiazol-2-yl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide
SMILESCc1cnc(N(C2CCN(C(C)C)CC2)S(=O)(=O)CCN)s1
InChIInChI=1S/C14H26N4O2S2/c1-11(2)17-7-4-13(5-8-17)18(22(19,20)9-6-15)14-16-10-12(3)21-14/h10-11,13H,4-9,15H2,1-3H3
InChIKeyLXKUYLNUXTZQCM-UHFFFAOYSA-N
MW346.52 g/mol
LogP1.42
Rot. Bonds6

About 2-amino-N-(5-methyl-1,3-thiazol-2-yl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide

2-amino-N-(5-methyl-1,3-thiazol-2-yl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide (PubChem CID 68822894) has the molecular formula C14H26N4O2S2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 2-amino-N-(5-methyl-1,3-thiazol-2-yl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(5-methyl-1,3-thiazol-2-yl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide
PubChem CID68822894
Molecular FormulaC14H26N4O2S2
Molecular Weight346.52 g/mol
Exact Mass346.15
IUPAC Name2-amino-N-(5-methyl-1,3-thiazol-2-yl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide
SMILESCc1cnc(N(C2CCN(C(C)C)CC2)S(=O)(=O)CCN)s1
InChIInChI=1S/C14H26N4O2S2/c1-11(2)17-7-4-13(5-8-17)18(22(19,20)9-6-15)14-16-10-12(3)21-14/h10-11,13H,4-9,15H2,1-3H3
InChIKeyLXKUYLNUXTZQCM-UHFFFAOYSA-N
XLogP1.42
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-methyl-1,3-thiazol-2-yl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(5-methyl-1,3-thiazol-2-yl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide (CID 68822894) is 2-amino-N-(5-methyl-1,3-thiazol-2-yl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(5-methyl-1,3-thiazol-2-yl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(5-methyl-1,3-thiazol-2-yl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide is Cc1cnc(N(C2CCN(C(C)C)CC2)S(=O)(=O)CCN)s1.
What is the InChIKey of 2-amino-N-(5-methyl-1,3-thiazol-2-yl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide?
The InChIKey is LXKUYLNUXTZQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S2/c1-11(2)17-7-4-13(5-8-17)18(22(19,20)9-6-15)14-16-10-12(3)21-14/h10-11,13H,4-9,15H2,1-3H3.
What are the key properties of 2-amino-N-(5-methyl-1,3-thiazol-2-yl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide?
2-amino-N-(5-methyl-1,3-thiazol-2-yl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide has a molecular weight of 346.52 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-methyl-1,3-thiazol-2-yl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide is sourced from PubChem (CID 68822894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).