(2S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-methylsulfanylpropanamide

C12H23NO2S — CID 95906448

IUPAC(2S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-methylsulfanylpropanamide
SMILESCO[C@]1(C)C[C@@H](NC(=O)[C@H](C)SC)C1(C)C
InChIInChI=1S/C12H23NO2S/c1-8(16-6)10(14)13-9-7-12(4,15-5)11(9,2)3/h8-9H,7H2,1-6H3,(H,13,14)/t8-,9+,12+/m0/s1
InChIKeySCJMDUOOKIPMPJ-YGOYTEALSA-N
MW245.39 g/mol
LogP2.06
Rot. Bonds4

About (2S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-methylsulfanylpropanamide

(2S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-methylsulfanylpropanamide (PubChem CID 95906448) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is (2S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-methylsulfanylpropanamide
PubChem CID95906448
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name(2S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-methylsulfanylpropanamide
SMILESCO[C@]1(C)C[C@@H](NC(=O)[C@H](C)SC)C1(C)C
InChIInChI=1S/C12H23NO2S/c1-8(16-6)10(14)13-9-7-12(4,15-5)11(9,2)3/h8-9H,7H2,1-6H3,(H,13,14)/t8-,9+,12+/m0/s1
InChIKeySCJMDUOOKIPMPJ-YGOYTEALSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-methylsulfanylpropanamide with MolForge

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Related Compounds

2-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-methylpentanamide;hydrochloride
CID 119817970
2-amino-3-methoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide;hydrochloride
CID 120991463
2-(dimethylamino)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]acetamide
CID 99631339
1-(dimethylamino)-N-[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]cyclobutane-1-carboxamide
CID 99578445
1-(4-hydroxy-2-methylpentyl)-3-(3-methoxy-2,2,3-trimethylcyclobutyl)urea
CID 111509567
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-4-(methylamino)butanamide;hydrochloride
CID 119817936
1-(2-hydroxy-2-methylpropyl)-3-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-propan-2-ylurea
CID 97326278
(2R)-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 129428982
(2R)-2-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]propan-1-ol
CID 103825995
1-[(3-methoxy-2,2,3-trimethylcyclobutyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122004608
N-cyclopentyl-2-methylsulfanylpropanamide
CID 126996006
(9S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1,4-dioxaspiro[4.4]nonane-9-carboxamide
CID 124854968

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-methylsulfanylpropanamide?
The IUPAC name of (2S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-methylsulfanylpropanamide (CID 95906448) is (2S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-methylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-methylsulfanylpropanamide?
The canonical SMILES for (2S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-methylsulfanylpropanamide is CO[C@]1(C)C[C@@H](NC(=O)[C@H](C)SC)C1(C)C.
What is the InChIKey of (2S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-methylsulfanylpropanamide?
The InChIKey is SCJMDUOOKIPMPJ-YGOYTEALSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-8(16-6)10(14)13-9-7-12(4,15-5)11(9,2)3/h8-9H,7H2,1-6H3,(H,13,14)/t8-,9+,12+/m0/s1.
What are the key properties of (2S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-methylsulfanylpropanamide?
(2S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-methylsulfanylpropanamide has a molecular weight of 245.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 95906448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).