(2S)-N-ethyl-2-phenylsulfanylpropanamide

C11H15NOS — CID 875325

IUPAC(2S)-N-ethyl-2-phenylsulfanylpropanamide
SMILESCCNC(=O)[C@H](C)Sc1ccccc1
InChIInChI=1S/C11H15NOS/c1-3-12-11(13)9(2)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyCKTULYXYWWQWEU-VIFPVBQESA-N
MW209.31 g/mol
LogP2.30
Rot. Bonds4

About (2S)-N-ethyl-2-phenylsulfanylpropanamide

(2S)-N-ethyl-2-phenylsulfanylpropanamide (PubChem CID 875325) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (2S)-N-ethyl-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-phenylsulfanylpropanamide
PubChem CID875325
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(2S)-N-ethyl-2-phenylsulfanylpropanamide
SMILESCCNC(=O)[C@H](C)Sc1ccccc1
InChIInChI=1S/C11H15NOS/c1-3-12-11(13)9(2)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyCKTULYXYWWQWEU-VIFPVBQESA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-2-phenylsulfanylpropanamide
CID 119384370
N-(3-methylbutyl)-2-phenylsulfanylpropanamide
CID 4791698
2-(4-aminophenyl)sulfanyl-N-ethylpropanamide
CID 43299394
2-phenylsulfanyl-N-prop-2-ynylpropanamide
CID 46653085
N-(2-ethyl-2-hydroxybutyl)-2-phenylsulfanylpropanamide
CID 111483364
2-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid
CID 43089209
N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide
CID 3584948
N-ethyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide
CID 66348230
(2S)-2-phenylsulfanyl-N-(3-propan-2-yloxypropyl)propanamide
CID 40604017
N-(naphthalen-1-ylmethyl)-2-phenylsulfanylpropanamide
CID 133218931
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
(2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide
CID 39964892

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-phenylsulfanylpropanamide?
The IUPAC name of (2S)-N-ethyl-2-phenylsulfanylpropanamide (CID 875325) is (2S)-N-ethyl-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-ethyl-2-phenylsulfanylpropanamide?
The canonical SMILES for (2S)-N-ethyl-2-phenylsulfanylpropanamide is CCNC(=O)[C@H](C)Sc1ccccc1.
What is the InChIKey of (2S)-N-ethyl-2-phenylsulfanylpropanamide?
The InChIKey is CKTULYXYWWQWEU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NOS/c1-3-12-11(13)9(2)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-phenylsulfanylpropanamide?
(2S)-N-ethyl-2-phenylsulfanylpropanamide has a molecular weight of 209.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-phenylsulfanylpropanamide is sourced from PubChem (CID 875325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).