(S)-2-methyl-N-[(1S)-1-(1,3-thiazol-4-yl)propyl]propane-2-sulfinamide

C10H18N2OS2 — CID 155213946

IUPAC(S)-2-methyl-N-[(1S)-1-(1,3-thiazol-4-yl)propyl]propane-2-sulfinamide
SMILESCC[C@H](N[S@@](=O)C(C)(C)C)c1cscn1
InChIInChI=1S/C10H18N2OS2/c1-5-8(9-6-14-7-11-9)12-15(13)10(2,3)4/h6-8,12H,5H2,1-4H3/t8-,15-/m0/s1
InChIKeyNJNVTYDJISEPOA-AYVTZFPOSA-N
MW246.40 g/mol
LogP2.65
Rot. Bonds4

About (S)-2-methyl-N-[(1S)-1-(1,3-thiazol-4-yl)propyl]propane-2-sulfinamide

(S)-2-methyl-N-[(1S)-1-(1,3-thiazol-4-yl)propyl]propane-2-sulfinamide (PubChem CID 155213946) has the molecular formula C10H18N2OS2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (S)-2-methyl-N-[(1S)-1-(1,3-thiazol-4-yl)propyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(1S)-1-(1,3-thiazol-4-yl)propyl]propane-2-sulfinamide
PubChem CID155213946
Molecular FormulaC10H18N2OS2
Molecular Weight246.40 g/mol
Exact Mass246.09
IUPAC Name(S)-2-methyl-N-[(1S)-1-(1,3-thiazol-4-yl)propyl]propane-2-sulfinamide
SMILESCC[C@H](N[S@@](=O)C(C)(C)C)c1cscn1
InChIInChI=1S/C10H18N2OS2/c1-5-8(9-6-14-7-11-9)12-15(13)10(2,3)4/h6-8,12H,5H2,1-4H3/t8-,15-/m0/s1
InChIKeyNJNVTYDJISEPOA-AYVTZFPOSA-N
XLogP2.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(1S)-1-(1,3-thiazol-4-yl)propyl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(1S)-1-(1,3-thiazol-4-yl)propyl]propane-2-sulfinamide (CID 155213946) is (S)-2-methyl-N-[(1S)-1-(1,3-thiazol-4-yl)propyl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(1S)-1-(1,3-thiazol-4-yl)propyl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(1S)-1-(1,3-thiazol-4-yl)propyl]propane-2-sulfinamide is CC[C@H](N[S@@](=O)C(C)(C)C)c1cscn1.
What is the InChIKey of (S)-2-methyl-N-[(1S)-1-(1,3-thiazol-4-yl)propyl]propane-2-sulfinamide?
The InChIKey is NJNVTYDJISEPOA-AYVTZFPOSA-N. The full InChI is InChI=1S/C10H18N2OS2/c1-5-8(9-6-14-7-11-9)12-15(13)10(2,3)4/h6-8,12H,5H2,1-4H3/t8-,15-/m0/s1.
What are the key properties of (S)-2-methyl-N-[(1S)-1-(1,3-thiazol-4-yl)propyl]propane-2-sulfinamide?
(S)-2-methyl-N-[(1S)-1-(1,3-thiazol-4-yl)propyl]propane-2-sulfinamide has a molecular weight of 246.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(1S)-1-(1,3-thiazol-4-yl)propyl]propane-2-sulfinamide is sourced from PubChem (CID 155213946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).