(2R)-N-tert-butyl-2-[[(2R)-2-methylpiperidin-1-yl]sulfonylamino]propanamide

C13H27N3O3S — CID 124727544

IUPAC(2R)-N-tert-butyl-2-[[(2R)-2-methylpiperidin-1-yl]sulfonylamino]propanamide
SMILESC[C@@H]1CCCCN1S(=O)(=O)N[C@H](C)C(=O)NC(C)(C)C
InChIInChI=1S/C13H27N3O3S/c1-10-8-6-7-9-16(10)20(18,19)15-11(2)12(17)14-13(3,4)5/h10-11,15H,6-9H2,1-5H3,(H,14,17)/t10-,11-/m1/s1
InChIKeyDANYIDZQAVWPEG-GHMZBOCLSA-N
MW305.44 g/mol
LogP1.00
Rot. Bonds4

About (2R)-N-tert-butyl-2-[[(2R)-2-methylpiperidin-1-yl]sulfonylamino]propanamide

(2R)-N-tert-butyl-2-[[(2R)-2-methylpiperidin-1-yl]sulfonylamino]propanamide (PubChem CID 124727544) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[[(2R)-2-methylpiperidin-1-yl]sulfonylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-[[(2R)-2-methylpiperidin-1-yl]sulfonylamino]propanamide
PubChem CID124727544
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name(2R)-N-tert-butyl-2-[[(2R)-2-methylpiperidin-1-yl]sulfonylamino]propanamide
SMILESC[C@@H]1CCCCN1S(=O)(=O)N[C@H](C)C(=O)NC(C)(C)C
InChIInChI=1S/C13H27N3O3S/c1-10-8-6-7-9-16(10)20(18,19)15-11(2)12(17)14-13(3,4)5/h10-11,15H,6-9H2,1-5H3,(H,14,17)/t10-,11-/m1/s1
InChIKeyDANYIDZQAVWPEG-GHMZBOCLSA-N
XLogP1.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxypentan-2-yl)-2-methylpiperidine-1-sulfonamide
CID 113376619
(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide
CID 95277876
N-(1-amino-3,3-dimethylbutan-2-yl)-2-methylpiperidine-1-sulfonamide
CID 114208118
3-methoxy-2-[(2-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 81078480
tert-butyl 1-[[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]piperidine-2-carboxylate
CID 138047842
3-methyl-2-[(2-methylpyrrolidin-1-yl)sulfonylamino]butanoic acid
CID 122067923
4-amino-2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-oxobutanoic acid
CID 43210817
2-[(2-methylpiperidin-1-yl)sulfonylamino]-4-methylsulfonylbutanoic acid
CID 43094969
N-(1-chloro-4-methylpentan-2-yl)-2-methylpiperidine-1-sulfonamide
CID 65030729
1-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859270
N-[2-(2-hydroxypropylamino)ethyl]-2-methylpiperidine-1-sulfonamide
CID 104593982
2-methyl-1-propan-2-ylsulfonylpiperidine
CID 59266035

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[[(2R)-2-methylpiperidin-1-yl]sulfonylamino]propanamide?
The IUPAC name of (2R)-N-tert-butyl-2-[[(2R)-2-methylpiperidin-1-yl]sulfonylamino]propanamide (CID 124727544) is (2R)-N-tert-butyl-2-[[(2R)-2-methylpiperidin-1-yl]sulfonylamino]propanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-[[(2R)-2-methylpiperidin-1-yl]sulfonylamino]propanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-[[(2R)-2-methylpiperidin-1-yl]sulfonylamino]propanamide is C[C@@H]1CCCCN1S(=O)(=O)N[C@H](C)C(=O)NC(C)(C)C.
What is the InChIKey of (2R)-N-tert-butyl-2-[[(2R)-2-methylpiperidin-1-yl]sulfonylamino]propanamide?
The InChIKey is DANYIDZQAVWPEG-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-10-8-6-7-9-16(10)20(18,19)15-11(2)12(17)14-13(3,4)5/h10-11,15H,6-9H2,1-5H3,(H,14,17)/t10-,11-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-[[(2R)-2-methylpiperidin-1-yl]sulfonylamino]propanamide?
(2R)-N-tert-butyl-2-[[(2R)-2-methylpiperidin-1-yl]sulfonylamino]propanamide has a molecular weight of 305.44 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-[[(2R)-2-methylpiperidin-1-yl]sulfonylamino]propanamide is sourced from PubChem (CID 124727544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).