1-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide

C11H25N3O3S — CID 69107239

IUPAC1-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide
SMILESCC(C)N1CCC(NS(=O)(=O)C(CN)CO)CC1
InChIInChI=1S/C11H25N3O3S/c1-9(2)14-5-3-10(4-6-14)13-18(16,17)11(7-12)8-15/h9-11,13,15H,3-8,12H2,1-2H3
InChIKeyCQIKFBYWRMPPMB-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.90
Rot. Bonds6

About 1-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide

1-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide (PubChem CID 69107239) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide
PubChem CID69107239
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC Name1-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide
SMILESCC(C)N1CCC(NS(=O)(=O)C(CN)CO)CC1
InChIInChI=1S/C11H25N3O3S/c1-9(2)14-5-3-10(4-6-14)13-18(16,17)11(7-12)8-15/h9-11,13,15H,3-8,12H2,1-2H3
InChIKeyCQIKFBYWRMPPMB-UHFFFAOYSA-N
XLogP-0.90
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide?
The IUPAC name of 1-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide (CID 69107239) is 1-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide.
What is the SMILES notation for 1-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide?
The canonical SMILES for 1-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide is CC(C)N1CCC(NS(=O)(=O)C(CN)CO)CC1.
What is the InChIKey of 1-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide?
The InChIKey is CQIKFBYWRMPPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-9(2)14-5-3-10(4-6-14)13-18(16,17)11(7-12)8-15/h9-11,13,15H,3-8,12H2,1-2H3.
What are the key properties of 1-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide?
1-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide has a molecular weight of 279.41 g/mol, XLogP of -0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide is sourced from PubChem (CID 69107239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).