(S)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide

C9H16F3NOS — CID 56595193

IUPAC(S)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@H](C1CC1)C(F)(F)F
InChIInChI=1S/C9H16F3NOS/c1-8(2,3)15(14)13-7(6-4-5-6)9(10,11)12/h6-7,13H,4-5H2,1-3H3/t7-,15+/m1/s1
InChIKeyWXRNWDHBHUQISH-MLXNANBUSA-N
MW243.29 g/mol
LogP2.38
Rot. Bonds3

About (S)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide

(S)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide (PubChem CID 56595193) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is (S)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
PubChem CID56595193
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC Name(S)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N[C@H](C1CC1)C(F)(F)F
InChIInChI=1S/C9H16F3NOS/c1-8(2,3)15(14)13-7(6-4-5-6)9(10,11)12/h6-7,13H,4-5H2,1-3H3/t7-,15+/m1/s1
InChIKeyWXRNWDHBHUQISH-MLXNANBUSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (S)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide (CID 56595193) is (S)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)N[C@H](C1CC1)C(F)(F)F.
What is the InChIKey of (S)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is WXRNWDHBHUQISH-MLXNANBUSA-N. The full InChI is InChI=1S/C9H16F3NOS/c1-8(2,3)15(14)13-7(6-4-5-6)9(10,11)12/h6-7,13H,4-5H2,1-3H3/t7-,15+/m1/s1.
What are the key properties of (S)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 243.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 56595193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).