(2S)-N-tert-butyl-2-phenylsulfanylpropanamide

C13H19NOS — CID 875313

IUPAC(2S)-N-tert-butyl-2-phenylsulfanylpropanamide
SMILESC[C@H](Sc1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H19NOS/c1-10(12(15)14-13(2,3)4)16-11-8-6-5-7-9-11/h5-10H,1-4H3,(H,14,15)/t10-/m0/s1
InChIKeyPZSFGMODBFFFQR-JTQLQIEISA-N
MW237.37 g/mol
LogP3.08
Rot. Bonds3

About (2S)-N-tert-butyl-2-phenylsulfanylpropanamide

(2S)-N-tert-butyl-2-phenylsulfanylpropanamide (PubChem CID 875313) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-phenylsulfanylpropanamide
PubChem CID875313
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name(2S)-N-tert-butyl-2-phenylsulfanylpropanamide
SMILESC[C@H](Sc1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H19NOS/c1-10(12(15)14-13(2,3)4)16-11-8-6-5-7-9-11/h5-10H,1-4H3,(H,14,15)/t10-/m0/s1
InChIKeyPZSFGMODBFFFQR-JTQLQIEISA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenyl)sulfanyl-N-tert-butylpropanamide
CID 19317772
2-phenylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 133244491
2-(3-aminophenyl)sulfanyl-N-tert-butylpropanamide
CID 79134421
N-tert-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide
CID 62028576
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
(2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214605
(2S)-N-ethyl-2-phenylsulfanylpropanamide
CID 875325
N-(2-aminoethyl)-2-phenylsulfanylpropanamide
CID 119384370
N-(3-methylbutyl)-2-phenylsulfanylpropanamide
CID 4791698
2-phenylsulfanyl-N-prop-2-ynylpropanamide
CID 46653085
N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide
CID 17416780
N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51233862

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-phenylsulfanylpropanamide?
The IUPAC name of (2S)-N-tert-butyl-2-phenylsulfanylpropanamide (CID 875313) is (2S)-N-tert-butyl-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-phenylsulfanylpropanamide?
The canonical SMILES for (2S)-N-tert-butyl-2-phenylsulfanylpropanamide is C[C@H](Sc1ccccc1)C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-2-phenylsulfanylpropanamide?
The InChIKey is PZSFGMODBFFFQR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19NOS/c1-10(12(15)14-13(2,3)4)16-11-8-6-5-7-9-11/h5-10H,1-4H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-phenylsulfanylpropanamide?
(2S)-N-tert-butyl-2-phenylsulfanylpropanamide has a molecular weight of 237.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-phenylsulfanylpropanamide is sourced from PubChem (CID 875313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).