(2S)-N-(2-methylpropyl)-2-[(S)-thiophen-2-ylsulfinyl]propanamide

C11H17NO2S2 — CID 97325285

IUPAC(2S)-N-(2-methylpropyl)-2-[(S)-thiophen-2-ylsulfinyl]propanamide
SMILESCC(C)CNC(=O)[C@H](C)[S@](=O)c1cccs1
InChIInChI=1S/C11H17NO2S2/c1-8(2)7-12-11(13)9(3)16(14)10-5-4-6-15-10/h4-6,8-9H,7H2,1-3H3,(H,12,13)/t9-,16-/m0/s1
InChIKeyXSFVAPCLQBTVDR-FVMDXXJSSA-N
MW259.40 g/mol
LogP2.02
Rot. Bonds5

About (2S)-N-(2-methylpropyl)-2-[(S)-thiophen-2-ylsulfinyl]propanamide

(2S)-N-(2-methylpropyl)-2-[(S)-thiophen-2-ylsulfinyl]propanamide (PubChem CID 97325285) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is (2S)-N-(2-methylpropyl)-2-[(S)-thiophen-2-ylsulfinyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-methylpropyl)-2-[(S)-thiophen-2-ylsulfinyl]propanamide
PubChem CID97325285
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC Name(2S)-N-(2-methylpropyl)-2-[(S)-thiophen-2-ylsulfinyl]propanamide
SMILESCC(C)CNC(=O)[C@H](C)[S@](=O)c1cccs1
InChIInChI=1S/C11H17NO2S2/c1-8(2)7-12-11(13)9(3)16(14)10-5-4-6-15-10/h4-6,8-9H,7H2,1-3H3,(H,12,13)/t9-,16-/m0/s1
InChIKeyXSFVAPCLQBTVDR-FVMDXXJSSA-N
XLogP2.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115285812
2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methylpropyl)propanamide
CID 113407006
2-[4-[1-(2-methylpropylamino)-1-oxopropan-2-yl]sulfinylphenyl]acetic acid
CID 64929959
N-(2-methylpropyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide
CID 78963769
N-(2-methylpropyl)-2-(1-thiophen-2-ylethylamino)acetamide
CID 43398125
2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide
CID 81181954
N-methyl-2-thiophen-2-ylsulfinylpentan-3-amine
CID 64653004
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonyl)benzoate
CID 8970571
N-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide
CID 110298004
(2S)-N-(2-methylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 9492888
2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide
CID 107221006
ethyl 2-thiophen-2-ylsulfinylbutanoate
CID 64662688

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methylpropyl)-2-[(S)-thiophen-2-ylsulfinyl]propanamide?
The IUPAC name of (2S)-N-(2-methylpropyl)-2-[(S)-thiophen-2-ylsulfinyl]propanamide (CID 97325285) is (2S)-N-(2-methylpropyl)-2-[(S)-thiophen-2-ylsulfinyl]propanamide.
What is the SMILES notation for (2S)-N-(2-methylpropyl)-2-[(S)-thiophen-2-ylsulfinyl]propanamide?
The canonical SMILES for (2S)-N-(2-methylpropyl)-2-[(S)-thiophen-2-ylsulfinyl]propanamide is CC(C)CNC(=O)[C@H](C)[S@](=O)c1cccs1.
What is the InChIKey of (2S)-N-(2-methylpropyl)-2-[(S)-thiophen-2-ylsulfinyl]propanamide?
The InChIKey is XSFVAPCLQBTVDR-FVMDXXJSSA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-8(2)7-12-11(13)9(3)16(14)10-5-4-6-15-10/h4-6,8-9H,7H2,1-3H3,(H,12,13)/t9-,16-/m0/s1.
What are the key properties of (2S)-N-(2-methylpropyl)-2-[(S)-thiophen-2-ylsulfinyl]propanamide?
(2S)-N-(2-methylpropyl)-2-[(S)-thiophen-2-ylsulfinyl]propanamide has a molecular weight of 259.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methylpropyl)-2-[(S)-thiophen-2-ylsulfinyl]propanamide is sourced from PubChem (CID 97325285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).