N-(2-amino-2-methylpropyl)-2-phenylsulfanylbutanamide

C14H22N2OS — CID 119628134

IUPACN-(2-amino-2-methylpropyl)-2-phenylsulfanylbutanamide
SMILESCCC(Sc1ccccc1)C(=O)NCC(C)(C)N
InChIInChI=1S/C14H22N2OS/c1-4-12(13(17)16-10-14(2,3)15)18-11-8-6-5-7-9-11/h5-9,12H,4,10,15H2,1-3H3,(H,16,17)
InChIKeyCWNDHLITLOLMIQ-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.41
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-2-phenylsulfanylbutanamide

N-(2-amino-2-methylpropyl)-2-phenylsulfanylbutanamide (PubChem CID 119628134) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-phenylsulfanylbutanamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-phenylsulfanylbutanamide
PubChem CID119628134
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-(2-amino-2-methylpropyl)-2-phenylsulfanylbutanamide
SMILESCCC(Sc1ccccc1)C(=O)NCC(C)(C)N
InChIInChI=1S/C14H22N2OS/c1-4-12(13(17)16-10-14(2,3)15)18-11-8-6-5-7-9-11/h5-9,12H,4,10,15H2,1-3H3,(H,16,17)
InChIKeyCWNDHLITLOLMIQ-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-phenylsulfanylbutanamide
CID 86913040
N-[3-(methylamino)propyl]-2-phenylsulfanylbutanamide;hydrochloride
CID 119431776
N-(3,3-dimethylbutylsulfonyl)-2-phenylsulfanylbutanamide
CID 86943964
(2R)-2-phenylsulfanylbutanoic acid
CID 10058517
(2S)-2-(2-phenylsulfanylbutanoylamino)propanoic acid
CID 119942887
N-(2-amino-2-methylpropyl)-2,2-diphenylacetamide
CID 119628942
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylsulfanylbutanamide
CID 120947547
(2S)-N-[[3-(carbamoylamino)phenyl]methyl]-2-phenylsulfanylbutanamide
CID 95979709
2-methylidene-3-phenylsulfanylpentanoic acid
CID 175127890
N-(2-ethyl-2-hydroxybutyl)-2-phenylsulfanylpropanamide
CID 111483364
N-[3,5-bis(hydroxymethyl)phenyl]-2-phenylsulfanylbutanamide
CID 126839834
2-(4-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide
CID 43876067

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-phenylsulfanylbutanamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-phenylsulfanylbutanamide (CID 119628134) is N-(2-amino-2-methylpropyl)-2-phenylsulfanylbutanamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-phenylsulfanylbutanamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-phenylsulfanylbutanamide is CCC(Sc1ccccc1)C(=O)NCC(C)(C)N.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-phenylsulfanylbutanamide?
The InChIKey is CWNDHLITLOLMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-12(13(17)16-10-14(2,3)15)18-11-8-6-5-7-9-11/h5-9,12H,4,10,15H2,1-3H3,(H,16,17).
What are the key properties of N-(2-amino-2-methylpropyl)-2-phenylsulfanylbutanamide?
N-(2-amino-2-methylpropyl)-2-phenylsulfanylbutanamide has a molecular weight of 266.41 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-phenylsulfanylbutanamide is sourced from PubChem (CID 119628134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).