(S)-2-methyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfinamide

C10H23NOS — CID 135057214

IUPAC(S)-2-methyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfinamide
SMILESCC(C)C[C@H](C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C10H23NOS/c1-8(2)7-9(3)11-13(12)10(4,5)6/h8-9,11H,7H2,1-6H3/t9-,13-/m0/s1
InChIKeySQNVCPUAUAYWRT-ZANVPECISA-N
MW205.37 g/mol
LogP2.47
Rot. Bonds4

About (S)-2-methyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfinamide

(S)-2-methyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfinamide (PubChem CID 135057214) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is (S)-2-methyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfinamide
PubChem CID135057214
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name(S)-2-methyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfinamide
SMILESCC(C)C[C@H](C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C10H23NOS/c1-8(2)7-9(3)11-13(12)10(4,5)6/h8-9,11H,7H2,1-6H3/t9-,13-/m0/s1
InChIKeySQNVCPUAUAYWRT-ZANVPECISA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfinamide (CID 135057214) is (S)-2-methyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfinamide is CC(C)C[C@H](C)N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-2-methyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfinamide?
The InChIKey is SQNVCPUAUAYWRT-ZANVPECISA-N. The full InChI is InChI=1S/C10H23NOS/c1-8(2)7-9(3)11-13(12)10(4,5)6/h8-9,11H,7H2,1-6H3/t9-,13-/m0/s1.
What are the key properties of (S)-2-methyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfinamide?
(S)-2-methyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfinamide has a molecular weight of 205.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 135057214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).