(2S)-N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]-N,2-dimethylbutane-1-sulfonamide

C15H32N2O3S — CID 98847541

IUPAC(2S)-N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]-N,2-dimethylbutane-1-sulfonamide
SMILESCC[C@H](C)CS(=O)(=O)N(C)CC1CCN(C[C@H](C)O)CC1
InChIInChI=1S/C15H32N2O3S/c1-5-13(2)12-21(19,20)16(4)11-15-6-8-17(9-7-15)10-14(3)18/h13-15,18H,5-12H2,1-4H3/t13-,14-/m0/s1
InChIKeyLXWQEPTYLPBENX-KBPBESRZSA-N
MW320.50 g/mol
LogP1.39
Rot. Bonds8

About (2S)-N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]-N,2-dimethylbutane-1-sulfonamide

(2S)-N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]-N,2-dimethylbutane-1-sulfonamide (PubChem CID 98847541) has the molecular formula C15H32N2O3S and a molecular weight of 320.50 g/mol. Its IUPAC name is (2S)-N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]-N,2-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]-N,2-dimethylbutane-1-sulfonamide
PubChem CID98847541
Molecular FormulaC15H32N2O3S
Molecular Weight320.50 g/mol
Exact Mass320.21
IUPAC Name(2S)-N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]-N,2-dimethylbutane-1-sulfonamide
SMILESCC[C@H](C)CS(=O)(=O)N(C)CC1CCN(C[C@H](C)O)CC1
InChIInChI=1S/C15H32N2O3S/c1-5-13(2)12-21(19,20)16(4)11-15-6-8-17(9-7-15)10-14(3)18/h13-15,18H,5-12H2,1-4H3/t13-,14-/m0/s1
InChIKeyLXWQEPTYLPBENX-KBPBESRZSA-N
XLogP1.39
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]-N,2-dimethylbutane-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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]-N,2-dimethylbutane-1-sulfonamide?
The IUPAC name of (2S)-N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]-N,2-dimethylbutane-1-sulfonamide (CID 98847541) is (2S)-N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]-N,2-dimethylbutane-1-sulfonamide.
What is the SMILES notation for (2S)-N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]-N,2-dimethylbutane-1-sulfonamide?
The canonical SMILES for (2S)-N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]-N,2-dimethylbutane-1-sulfonamide is CC[C@H](C)CS(=O)(=O)N(C)CC1CCN(C[C@H](C)O)CC1.
What is the InChIKey of (2S)-N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]-N,2-dimethylbutane-1-sulfonamide?
The InChIKey is LXWQEPTYLPBENX-KBPBESRZSA-N. The full InChI is InChI=1S/C15H32N2O3S/c1-5-13(2)12-21(19,20)16(4)11-15-6-8-17(9-7-15)10-14(3)18/h13-15,18H,5-12H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of (2S)-N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]-N,2-dimethylbutane-1-sulfonamide?
(2S)-N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]-N,2-dimethylbutane-1-sulfonamide has a molecular weight of 320.50 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]-N,2-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 98847541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).