2-(3-aminobutylsulfanyl)-N-tert-butylpropanamide

C11H24N2OS — CID 66234392

IUPAC2-(3-aminobutylsulfanyl)-N-tert-butylpropanamide
SMILESCC(N)CCSC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H24N2OS/c1-8(12)6-7-15-9(2)10(14)13-11(3,4)5/h8-9H,6-7,12H2,1-5H3,(H,13,14)
InChIKeyOYUZMGPXMHARPM-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.76
Rot. Bonds5

About 2-(3-aminobutylsulfanyl)-N-tert-butylpropanamide

2-(3-aminobutylsulfanyl)-N-tert-butylpropanamide (PubChem CID 66234392) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 2-(3-aminobutylsulfanyl)-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-(3-aminobutylsulfanyl)-N-tert-butylpropanamide
PubChem CID66234392
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name2-(3-aminobutylsulfanyl)-N-tert-butylpropanamide
SMILESCC(N)CCSC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H24N2OS/c1-8(12)6-7-15-9(2)10(14)13-11(3,4)5/h8-9H,6-7,12H2,1-5H3,(H,13,14)
InChIKeyOYUZMGPXMHARPM-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-2-butylsulfanylpropanamide;hydrochloride
CID 119496430
(2R)-2-amino-3-[[(2R)-2-amino-3-(tert-butylamino)-3-oxopropyl]disulfanyl]-N-tert-butylpropanamide
CID 142641960
2-(3-aminobutylsulfanyl)butanehydrazide
CID 66234843
(2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide
CID 164800238
(2R)-2-acetamido-3-[1-(tert-butylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 107774252
(2S)-2,4-diamino-N-tert-butylbutanamide
CID 164800248
(2S)-2-amino-N-tert-butylbutanamide
CID 79025313
3-(3-aminobutylsulfanyl)butanoic acid
CID 66232789
(2S)-2-[(2-bromophenyl)methylsulfanyl]-N-tert-butylpropanamide
CID 95155457
2-[1-(tert-butylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid
CID 105353041
2-(2-butylsulfanylpropanoylamino)-2-methylpentanoic acid
CID 119192027
N-tert-butyl-2-methylpropanamide;ethane
CID 143588307

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutylsulfanyl)-N-tert-butylpropanamide?
The IUPAC name of 2-(3-aminobutylsulfanyl)-N-tert-butylpropanamide (CID 66234392) is 2-(3-aminobutylsulfanyl)-N-tert-butylpropanamide.
What is the SMILES notation for 2-(3-aminobutylsulfanyl)-N-tert-butylpropanamide?
The canonical SMILES for 2-(3-aminobutylsulfanyl)-N-tert-butylpropanamide is CC(N)CCSC(C)C(=O)NC(C)(C)C.
What is the InChIKey of 2-(3-aminobutylsulfanyl)-N-tert-butylpropanamide?
The InChIKey is OYUZMGPXMHARPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-8(12)6-7-15-9(2)10(14)13-11(3,4)5/h8-9H,6-7,12H2,1-5H3,(H,13,14).
What are the key properties of 2-(3-aminobutylsulfanyl)-N-tert-butylpropanamide?
2-(3-aminobutylsulfanyl)-N-tert-butylpropanamide has a molecular weight of 232.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutylsulfanyl)-N-tert-butylpropanamide is sourced from PubChem (CID 66234392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).