N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide

C9H17F2NOS — CID 59543142

IUPACN-(1-cyclopropyl-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(C(F)F)C1CC1
InChIInChI=1S/C9H17F2NOS/c1-9(2,3)14(13)12-7(8(10)11)6-4-5-6/h6-8,12H,4-5H2,1-3H3
InChIKeyHJVXYVZBXAXRDV-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.08
Rot. Bonds4

About N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide

N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide (PubChem CID 59543142) has the molecular formula C9H17F2NOS and a molecular weight of 225.30 g/mol. Its IUPAC name is N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide
PubChem CID59543142
Molecular FormulaC9H17F2NOS
Molecular Weight225.30 g/mol
Exact Mass225.10
IUPAC NameN-(1-cyclopropyl-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(C(F)F)C1CC1
InChIInChI=1S/C9H17F2NOS/c1-9(2,3)14(13)12-7(8(10)11)6-4-5-6/h6-8,12H,4-5H2,1-3H3
InChIKeyHJVXYVZBXAXRDV-UHFFFAOYSA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide (CID 59543142) is N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC(C(F)F)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide?
The InChIKey is HJVXYVZBXAXRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NOS/c1-9(2,3)14(13)12-7(8(10)11)6-4-5-6/h6-8,12H,4-5H2,1-3H3.
What are the key properties of N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide?
N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide has a molecular weight of 225.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 59543142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).