(2R)-2-amino-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide

C10H19F2N3O3S — CID 119324850

IUPAC(2R)-2-amino-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C10H19F2N3O3S/c1-7(13)9(16)14-6-8-2-4-15(5-3-8)19(17,18)10(11)12/h7-8,10H,2-6,13H2,1H3,(H,14,16)/t7-/m1/s1
InChIKeyQMGUEIUPTJGBBB-SSDOTTSWSA-N
MW299.34 g/mol
LogP-0.29
Rot. Bonds5

About (2R)-2-amino-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide

(2R)-2-amino-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide (PubChem CID 119324850) has the molecular formula C10H19F2N3O3S and a molecular weight of 299.34 g/mol. Its IUPAC name is (2R)-2-amino-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide
PubChem CID119324850
Molecular FormulaC10H19F2N3O3S
Molecular Weight299.34 g/mol
Exact Mass299.11
IUPAC Name(2R)-2-amino-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C10H19F2N3O3S/c1-7(13)9(16)14-6-8-2-4-15(5-3-8)19(17,18)10(11)12/h7-8,10H,2-6,13H2,1H3,(H,14,16)/t7-/m1/s1
InChIKeyQMGUEIUPTJGBBB-SSDOTTSWSA-N
XLogP-0.29
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
4-acetyl-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-N'-methylpiperazine-1-carboximidamide
CID 119160245
(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide
CID 119861450
(2R)-2-amino-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 119336692
(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61146973
1-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 119129581
3-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methylamino]-2-methoxy-2-methyl-3-oxopropanoic acid
CID 154865668
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-methoxyethanamine
CID 55258397
1-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-methyl-3-propylguanidine
CID 119148642
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 61149083
2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
CID 119299452

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide (CID 119324850) is (2R)-2-amino-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide is C[C@@H](N)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1.
What is the InChIKey of (2R)-2-amino-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is QMGUEIUPTJGBBB-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H19F2N3O3S/c1-7(13)9(16)14-6-8-2-4-15(5-3-8)19(17,18)10(11)12/h7-8,10H,2-6,13H2,1H3,(H,14,16)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide?
(2R)-2-amino-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 299.34 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 119324850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).