(S)-2-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide

C14H21F3N2OS — CID 58443408

IUPAC(S)-2-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide
SMILESCCC[C@H](N[S@@](=O)C(C)(C)C)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H21F3N2OS/c1-5-7-11(19-21(20)13(2,3)4)10-8-6-9-12(18-10)14(15,16)17/h6,8-9,11,19H,5,7H2,1-4H3/t11-,21-/m0/s1
InChIKeyRTIVOJSUAYOQRQ-MQJDWESPSA-N
MW322.40 g/mol
LogP3.99
Rot. Bonds5

About (S)-2-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide

(S)-2-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide (PubChem CID 58443408) has the molecular formula C14H21F3N2OS and a molecular weight of 322.40 g/mol. Its IUPAC name is (S)-2-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide
PubChem CID58443408
Molecular FormulaC14H21F3N2OS
Molecular Weight322.40 g/mol
Exact Mass322.13
IUPAC Name(S)-2-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide
SMILESCCC[C@H](N[S@@](=O)C(C)(C)C)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H21F3N2OS/c1-5-7-11(19-21(20)13(2,3)4)10-8-6-9-12(18-10)14(15,16)17/h6,8-9,11,19H,5,7H2,1-4H3/t11-,21-/m0/s1
InChIKeyRTIVOJSUAYOQRQ-MQJDWESPSA-N
XLogP3.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide (CID 58443408) is (S)-2-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide is CCC[C@H](N[S@@](=O)C(C)(C)C)c1cccc(C(F)(F)F)n1.
What is the InChIKey of (S)-2-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide?
The InChIKey is RTIVOJSUAYOQRQ-MQJDWESPSA-N. The full InChI is InChI=1S/C14H21F3N2OS/c1-5-7-11(19-21(20)13(2,3)4)10-8-6-9-12(18-10)14(15,16)17/h6,8-9,11,19H,5,7H2,1-4H3/t11-,21-/m0/s1.
What are the key properties of (S)-2-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide?
(S)-2-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide has a molecular weight of 322.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(1S)-1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide is sourced from PubChem (CID 58443408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).