N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide

C10H18FNO3S — CID 134298579

IUPACN-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide
SMILESCCNC(=O)CCS(=O)(=O)CC1CC1(C)F
InChIInChI=1S/C10H18FNO3S/c1-3-12-9(13)4-5-16(14,15)7-8-6-10(8,2)11/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyVHVIVQDTMAVZAE-UHFFFAOYSA-N
MW251.32 g/mol
LogP0.68
Rot. Bonds6

About N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide

N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide (PubChem CID 134298579) has the molecular formula C10H18FNO3S and a molecular weight of 251.32 g/mol. Its IUPAC name is N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide
PubChem CID134298579
Molecular FormulaC10H18FNO3S
Molecular Weight251.32 g/mol
Exact Mass251.10
IUPAC NameN-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide
SMILESCCNC(=O)CCS(=O)(=O)CC1CC1(C)F
InChIInChI=1S/C10H18FNO3S/c1-3-12-9(13)4-5-16(14,15)7-8-6-10(8,2)11/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyVHVIVQDTMAVZAE-UHFFFAOYSA-N
XLogP0.68
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide?
The IUPAC name of N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide (CID 134298579) is N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide?
The canonical SMILES for N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide is CCNC(=O)CCS(=O)(=O)CC1CC1(C)F.
What is the InChIKey of N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide?
The InChIKey is VHVIVQDTMAVZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO3S/c1-3-12-9(13)4-5-16(14,15)7-8-6-10(8,2)11/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide?
N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide has a molecular weight of 251.32 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2-fluoro-2-methylcyclopropyl)methylsulfonyl]propanamide is sourced from PubChem (CID 134298579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).