(2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide

C15H20FNO3S — CID 95179447

IUPAC(2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)[C@H](C)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C15H20FNO3S/c1-9(2)21(19,20)10(3)15(18)17-14-8-13(14)11-5-4-6-12(16)7-11/h4-7,9-10,13-14H,8H2,1-3H3,(H,17,18)/t10-,13-,14+/m1/s1
InChIKeyMLXIEIMOIAVLKD-HONMWMINSA-N
MW313.39 g/mol
LogP2.01
Rot. Bonds5

About (2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide

(2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide (PubChem CID 95179447) has the molecular formula C15H20FNO3S and a molecular weight of 313.39 g/mol. Its IUPAC name is (2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide
PubChem CID95179447
Molecular FormulaC15H20FNO3S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC Name(2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)[C@H](C)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C15H20FNO3S/c1-9(2)21(19,20)10(3)15(18)17-14-8-13(14)11-5-4-6-12(16)7-11/h4-7,9-10,13-14H,8H2,1-3H3,(H,17,18)/t10-,13-,14+/m1/s1
InChIKeyMLXIEIMOIAVLKD-HONMWMINSA-N
XLogP2.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide 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

(2R)-N-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide
CID 124734525
(2R)-2-amino-N-[2-(3-fluorophenyl)cyclopropyl]propanamide
CID 119305805
2-(dimethylamino)-N-[2-(3-fluorophenyl)cyclopropyl]-2-phenylacetamide
CID 71883326
N-[2-(3-fluorophenyl)cyclopropyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 75364366
2-amino-N-[2-(3-fluorophenyl)cyclopropyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120790129
cis-(1R,2S)-2-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124779019
1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 129380118
1-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-methylguanidine
CID 122082343
1-[2-(3-fluorophenyl)cyclopropyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 60595790
4-amino-N-[2-(3-fluorophenyl)cyclopropyl]-3-methoxybutanamide;hydrochloride
CID 120590455
3-[[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]carbamoyl-methylamino]propanoic acid
CID 122012276
(1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine
CID 29079515

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide?
The IUPAC name of (2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide (CID 95179447) is (2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide?
The canonical SMILES for (2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide is CC(C)S(=O)(=O)[C@H](C)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1.
What is the InChIKey of (2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide?
The InChIKey is MLXIEIMOIAVLKD-HONMWMINSA-N. The full InChI is InChI=1S/C15H20FNO3S/c1-9(2)21(19,20)10(3)15(18)17-14-8-13(14)11-5-4-6-12(16)7-11/h4-7,9-10,13-14H,8H2,1-3H3,(H,17,18)/t10-,13-,14+/m1/s1.
What are the key properties of (2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide?
(2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide has a molecular weight of 313.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-2-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 95179447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).