(S)-2-methyl-N-[(1S)-1-(1-methylindazol-5-yl)ethyl]propane-2-sulfinamide

C14H21N3OS — CID 163967880

IUPAC(S)-2-methyl-N-[(1S)-1-(1-methylindazol-5-yl)ethyl]propane-2-sulfinamide
SMILESC[C@H](N[S@@](=O)C(C)(C)C)c1ccc2c(cnn2C)c1
InChIInChI=1S/C14H21N3OS/c1-10(16-19(18)14(2,3)4)11-6-7-13-12(8-11)9-15-17(13)5/h6-10,16H,1-5H3/t10-,19-/m0/s1
InChIKeySNKIAUBZNXBAFF-OVWNDWIMSA-N
MW279.41 g/mol
LogP2.69
Rot. Bonds3

About (S)-2-methyl-N-[(1S)-1-(1-methylindazol-5-yl)ethyl]propane-2-sulfinamide

(S)-2-methyl-N-[(1S)-1-(1-methylindazol-5-yl)ethyl]propane-2-sulfinamide (PubChem CID 163967880) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is (S)-2-methyl-N-[(1S)-1-(1-methylindazol-5-yl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(1S)-1-(1-methylindazol-5-yl)ethyl]propane-2-sulfinamide
PubChem CID163967880
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name(S)-2-methyl-N-[(1S)-1-(1-methylindazol-5-yl)ethyl]propane-2-sulfinamide
SMILESC[C@H](N[S@@](=O)C(C)(C)C)c1ccc2c(cnn2C)c1
InChIInChI=1S/C14H21N3OS/c1-10(16-19(18)14(2,3)4)11-6-7-13-12(8-11)9-15-17(13)5/h6-10,16H,1-5H3/t10-,19-/m0/s1
InChIKeySNKIAUBZNXBAFF-OVWNDWIMSA-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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Related Compounds

2-methyl-N-[(1S)-1-(1-methylindazol-4-yl)ethyl]propane-2-sulfinamide
CID 146665041
(R)-2-methyl-N-[(1S)-1-(1-methylindazol-4-yl)ethyl]propane-2-sulfinamide
CID 156778664
N-[1-(1-methylindazol-5-yl)ethyl]prop-2-enamide
CID 166428635
N-[(1R)-1-(3-chloroisoquinolin-6-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 129107018
(S)-N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 118582712
(R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 118230707
N-tert-butyl-1-methylindazol-5-amine
CID 58709852
N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 86640807
(R)-N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 59278411
2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide
CID 57431929
(R)-2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide
CID 170836453
(NE,R)-2-methyl-N-[(1-methylindazol-5-yl)methylidene]propane-2-sulfinamide
CID 146665059

Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(1S)-1-(1-methylindazol-5-yl)ethyl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(1S)-1-(1-methylindazol-5-yl)ethyl]propane-2-sulfinamide (CID 163967880) is (S)-2-methyl-N-[(1S)-1-(1-methylindazol-5-yl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(1S)-1-(1-methylindazol-5-yl)ethyl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(1S)-1-(1-methylindazol-5-yl)ethyl]propane-2-sulfinamide is C[C@H](N[S@@](=O)C(C)(C)C)c1ccc2c(cnn2C)c1.
What is the InChIKey of (S)-2-methyl-N-[(1S)-1-(1-methylindazol-5-yl)ethyl]propane-2-sulfinamide?
The InChIKey is SNKIAUBZNXBAFF-OVWNDWIMSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10(16-19(18)14(2,3)4)11-6-7-13-12(8-11)9-15-17(13)5/h6-10,16H,1-5H3/t10-,19-/m0/s1.
What are the key properties of (S)-2-methyl-N-[(1S)-1-(1-methylindazol-5-yl)ethyl]propane-2-sulfinamide?
(S)-2-methyl-N-[(1S)-1-(1-methylindazol-5-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 (S)-2-methyl-N-[(1S)-1-(1-methylindazol-5-yl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 163967880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).