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

C14H26N4O2S2 — CID 69106639

IUPAC2-amino-N-[(1-propan-2-ylpiperidin-4-yl)-(1,3-thiazol-2-yl)methyl]ethanesulfonamide
SMILESCC(C)N1CCC(C(NS(=O)(=O)CCN)c2nccs2)CC1
InChIInChI=1S/C14H26N4O2S2/c1-11(2)18-7-3-12(4-8-18)13(14-16-6-9-21-14)17-22(19,20)10-5-15/h6,9,11-13,17H,3-5,7-8,10,15H2,1-2H3
InChIKeyHLSYLKCHGOANSB-UHFFFAOYSA-N
MW346.52 g/mol
LogP1.18
Rot. Bonds7

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

2-amino-N-[(1-propan-2-ylpiperidin-4-yl)-(1,3-thiazol-2-yl)methyl]ethanesulfonamide (PubChem CID 69106639) has the molecular formula C14H26N4O2S2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 2-amino-N-[(1-propan-2-ylpiperidin-4-yl)-(1,3-thiazol-2-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(1-propan-2-ylpiperidin-4-yl)-(1,3-thiazol-2-yl)methyl]ethanesulfonamide
PubChem CID69106639
Molecular FormulaC14H26N4O2S2
Molecular Weight346.52 g/mol
Exact Mass346.15
IUPAC Name2-amino-N-[(1-propan-2-ylpiperidin-4-yl)-(1,3-thiazol-2-yl)methyl]ethanesulfonamide
SMILESCC(C)N1CCC(C(NS(=O)(=O)CCN)c2nccs2)CC1
InChIInChI=1S/C14H26N4O2S2/c1-11(2)18-7-3-12(4-8-18)13(14-16-6-9-21-14)17-22(19,20)10-5-15/h6,9,11-13,17H,3-5,7-8,10,15H2,1-2H3
InChIKeyHLSYLKCHGOANSB-UHFFFAOYSA-N
XLogP1.18
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-propan-2-ylpiperidin-4-yl)-(1,3-thiazol-2-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-amino-N-[(1-propan-2-ylpiperidin-4-yl)-(1,3-thiazol-2-yl)methyl]ethanesulfonamide (CID 69106639) is 2-amino-N-[(1-propan-2-ylpiperidin-4-yl)-(1,3-thiazol-2-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-amino-N-[(1-propan-2-ylpiperidin-4-yl)-(1,3-thiazol-2-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-amino-N-[(1-propan-2-ylpiperidin-4-yl)-(1,3-thiazol-2-yl)methyl]ethanesulfonamide is CC(C)N1CCC(C(NS(=O)(=O)CCN)c2nccs2)CC1.
What is the InChIKey of 2-amino-N-[(1-propan-2-ylpiperidin-4-yl)-(1,3-thiazol-2-yl)methyl]ethanesulfonamide?
The InChIKey is HLSYLKCHGOANSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S2/c1-11(2)18-7-3-12(4-8-18)13(14-16-6-9-21-14)17-22(19,20)10-5-15/h6,9,11-13,17H,3-5,7-8,10,15H2,1-2H3.
What are the key properties of 2-amino-N-[(1-propan-2-ylpiperidin-4-yl)-(1,3-thiazol-2-yl)methyl]ethanesulfonamide?
2-amino-N-[(1-propan-2-ylpiperidin-4-yl)-(1,3-thiazol-2-yl)methyl]ethanesulfonamide has a molecular weight of 346.52 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-propan-2-ylpiperidin-4-yl)-(1,3-thiazol-2-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 69106639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).