trans-(1R,2R)-N-butylsulfonyl-2-(furan-2-yl)-N-methylcyclopropane-1-carboxamide

C13H19NO4S — CID 97027651

IUPACtrans-(1R,2R)-N-butylsulfonyl-2-(furan-2-yl)-N-methylcyclopropane-1-carboxamide
SMILESCCCCS(=O)(=O)N(C)C(=O)[C@@H]1C[C@H]1c1ccco1
InChIInChI=1S/C13H19NO4S/c1-3-4-8-19(16,17)14(2)13(15)11-9-10(11)12-6-5-7-18-12/h5-7,10-11H,3-4,8-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyREOKTJXOCHGBEC-GHMZBOCLSA-N
MW285.37 g/mol
LogP1.97
Rot. Bonds6

About trans-(1R,2R)-N-butylsulfonyl-2-(furan-2-yl)-N-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-butylsulfonyl-2-(furan-2-yl)-N-methylcyclopropane-1-carboxamide (PubChem CID 97027651) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is trans-(1R,2R)-N-butylsulfonyl-2-(furan-2-yl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-butylsulfonyl-2-(furan-2-yl)-N-methylcyclopropane-1-carboxamide
PubChem CID97027651
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Nametrans-(1R,2R)-N-butylsulfonyl-2-(furan-2-yl)-N-methylcyclopropane-1-carboxamide
SMILESCCCCS(=O)(=O)N(C)C(=O)[C@@H]1C[C@H]1c1ccco1
InChIInChI=1S/C13H19NO4S/c1-3-4-8-19(16,17)14(2)13(15)11-9-10(11)12-6-5-7-18-12/h5-7,10-11H,3-4,8-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyREOKTJXOCHGBEC-GHMZBOCLSA-N
XLogP1.97
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-N-butylsulfonyl-2-(furan-2-yl)-N-methylcyclopropane-1-carboxamide 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 trans-(1R,2R)-N-butylsulfonyl-2-(furan-2-yl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-butylsulfonyl-2-(furan-2-yl)-N-methylcyclopropane-1-carboxamide (CID 97027651) is trans-(1R,2R)-N-butylsulfonyl-2-(furan-2-yl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-butylsulfonyl-2-(furan-2-yl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-butylsulfonyl-2-(furan-2-yl)-N-methylcyclopropane-1-carboxamide is CCCCS(=O)(=O)N(C)C(=O)[C@@H]1C[C@H]1c1ccco1.
What is the InChIKey of trans-(1R,2R)-N-butylsulfonyl-2-(furan-2-yl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is REOKTJXOCHGBEC-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-3-4-8-19(16,17)14(2)13(15)11-9-10(11)12-6-5-7-18-12/h5-7,10-11H,3-4,8-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-N-butylsulfonyl-2-(furan-2-yl)-N-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-butylsulfonyl-2-(furan-2-yl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-butylsulfonyl-2-(furan-2-yl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 97027651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).