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

C11H25N3O3S — CID 66625195

IUPAC(2S)-2-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-1-sulfonamide
SMILESCC(C)N1CCC(NS(=O)(=O)C[C@@H](N)CO)CC1
InChIInChI=1S/C11H25N3O3S/c1-9(2)14-5-3-11(4-6-14)13-18(16,17)8-10(12)7-15/h9-11,13,15H,3-8,12H2,1-2H3/t10-/m0/s1
InChIKeyDULCJHSHAUBUTC-JTQLQIEISA-N
MW279.41 g/mol
LogP-0.90
Rot. Bonds6

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

(2S)-2-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-1-sulfonamide (PubChem CID 66625195) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-1-sulfonamide
PubChem CID66625195
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC Name(2S)-2-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-1-sulfonamide
SMILESCC(C)N1CCC(NS(=O)(=O)C[C@@H](N)CO)CC1
InChIInChI=1S/C11H25N3O3S/c1-9(2)14-5-3-11(4-6-14)13-18(16,17)8-10(12)7-15/h9-11,13,15H,3-8,12H2,1-2H3/t10-/m0/s1
InChIKeyDULCJHSHAUBUTC-JTQLQIEISA-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

Analyze (2S)-2-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 59175938
CID 59175938
N-(1-methoxypropan-2-yl)piperidine-4-sulfonamide
CID 61546336
1-((2-Methoxyethyl)sulfonyl)piperidin-4-amine
CID 61608559
2-(4-hydroxypiperidin-1-yl)-N-methylethanesulfonamide
CID 68371125
2-[2-Hydroxyethyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide
CID 68821540
2-amino-N-(2-hydroxyethyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide
CID 68821541
1-amino-4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide
CID 68821857
2-amino-N-(2-methoxyethyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide
CID 68822727
1-amino-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide
CID 68822827
1-amino-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide
CID 68824374
2-[3-Hydroxypropyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide
CID 68824663
2-amino-N-(3-hydroxypropyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide
CID 68824666

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-1-sulfonamide?
The IUPAC name of (2S)-2-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-1-sulfonamide (CID 66625195) is (2S)-2-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-1-sulfonamide.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-1-sulfonamide?
The canonical SMILES for (2S)-2-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-1-sulfonamide is CC(C)N1CCC(NS(=O)(=O)C[C@@H](N)CO)CC1.
What is the InChIKey of (2S)-2-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-1-sulfonamide?
The InChIKey is DULCJHSHAUBUTC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-9(2)14-5-3-11(4-6-14)13-18(16,17)8-10(12)7-15/h9-11,13,15H,3-8,12H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-1-sulfonamide?
(2S)-2-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-1-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 (2S)-2-amino-3-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)propane-1-sulfonamide is sourced from PubChem (CID 66625195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).