(R)-2-methyl-N-[(1S)-1-(1-methylindazol-4-yl)ethyl]propane-2-sulfinamide

C14H21N3OS — CID 156778664

IUPAC(R)-2-methyl-N-[(1S)-1-(1-methylindazol-4-yl)ethyl]propane-2-sulfinamide
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1cccc2c1cnn2C
InChIInChI=1S/C14H21N3OS/c1-10(16-19(18)14(2,3)4)11-7-6-8-13-12(11)9-15-17(13)5/h6-10,16H,1-5H3/t10-,19+/m0/s1
InChIKeyVCIVMZYSYJNDRS-APBUJDDRSA-N
MW279.41 g/mol
LogP2.69
Rot. Bonds3

About (R)-2-methyl-N-[(1S)-1-(1-methylindazol-4-yl)ethyl]propane-2-sulfinamide

(R)-2-methyl-N-[(1S)-1-(1-methylindazol-4-yl)ethyl]propane-2-sulfinamide (PubChem CID 156778664) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1S)-1-(1-methylindazol-4-yl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1S)-1-(1-methylindazol-4-yl)ethyl]propane-2-sulfinamide
PubChem CID156778664
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name(R)-2-methyl-N-[(1S)-1-(1-methylindazol-4-yl)ethyl]propane-2-sulfinamide
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1cccc2c1cnn2C
InChIInChI=1S/C14H21N3OS/c1-10(16-19(18)14(2,3)4)11-7-6-8-13-12(11)9-15-17(13)5/h6-10,16H,1-5H3/t10-,19+/m0/s1
InChIKeyVCIVMZYSYJNDRS-APBUJDDRSA-N
XLogP2.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1S)-1-(1-methylindazol-4-yl)ethyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1S)-1-(1-methylindazol-4-yl)ethyl]propane-2-sulfinamide (CID 156778664) is (R)-2-methyl-N-[(1S)-1-(1-methylindazol-4-yl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1S)-1-(1-methylindazol-4-yl)ethyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1S)-1-(1-methylindazol-4-yl)ethyl]propane-2-sulfinamide is C[C@H](N[S@](=O)C(C)(C)C)c1cccc2c1cnn2C.
What is the InChIKey of (R)-2-methyl-N-[(1S)-1-(1-methylindazol-4-yl)ethyl]propane-2-sulfinamide?
The InChIKey is VCIVMZYSYJNDRS-APBUJDDRSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10(16-19(18)14(2,3)4)11-7-6-8-13-12(11)9-15-17(13)5/h6-10,16H,1-5H3/t10-,19+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(1S)-1-(1-methylindazol-4-yl)ethyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1S)-1-(1-methylindazol-4-yl)ethyl]propane-2-sulfinamide has a molecular weight of 279.41 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1S)-1-(1-methylindazol-4-yl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 156778664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).