N-(3-aminobutyl)-2-butylsulfanylpropanamide;hydrochloride

C11H25ClN2OS — CID 119496430

IUPACN-(3-aminobutyl)-2-butylsulfanylpropanamide;hydrochloride
SMILESCCCCSC(C)C(=O)NCCC(C)N.Cl
InChIInChI=1S/C11H24N2OS.ClH/c1-4-5-8-15-10(3)11(14)13-7-6-9(2)12;/h9-10H,4-8,12H2,1-3H3,(H,13,14);1H
InChIKeyGNTPYSJHIZSQFN-UHFFFAOYSA-N
MW268.85 g/mol
LogP2.18
Rot. Bonds8

About N-(3-aminobutyl)-2-butylsulfanylpropanamide;hydrochloride

N-(3-aminobutyl)-2-butylsulfanylpropanamide;hydrochloride (PubChem CID 119496430) has the molecular formula C11H25ClN2OS and a molecular weight of 268.85 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-butylsulfanylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-butylsulfanylpropanamide;hydrochloride
PubChem CID119496430
Molecular FormulaC11H25ClN2OS
Molecular Weight268.85 g/mol
Exact Mass268.14
IUPAC NameN-(3-aminobutyl)-2-butylsulfanylpropanamide;hydrochloride
SMILESCCCCSC(C)C(=O)NCCC(C)N.Cl
InChIInChI=1S/C11H24N2OS.ClH/c1-4-5-8-15-10(3)11(14)13-7-6-9(2)12;/h9-10H,4-8,12H2,1-3H3,(H,13,14);1H
InChIKeyGNTPYSJHIZSQFN-UHFFFAOYSA-N
XLogP2.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.85
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethylsulfanyl)-N-butylpropanamide
CID 43117401
methyl 2-(2-butylsulfanylpropanoylamino)acetate
CID 134037889
2-butylsulfanyl-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120654893
N-(1-aminohexan-2-yl)-2-butylsulfanylpropanamide
CID 119666195
(2S)-2-butylsulfanylpropanoyl chloride
CID 135809761
2-butylsulfanyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
CID 60546576
(2S)-2-[[(2S)-2-butylsulfanylpropanoyl]amino]-N,N-dimethylpropanamide
CID 97027657
2-(2-aminoethylsulfanyl)-N-ethylpropanamide
CID 43117398
2-(3-aminobutylsulfanyl)-N-tert-butylpropanamide
CID 66234392
6-amino-2-methyl-N-pentylheptanamide
CID 65292783
N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride
CID 119499301
6-amino-2-methyl-N-propylheptanamide
CID 65292773

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-butylsulfanylpropanamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-butylsulfanylpropanamide;hydrochloride (CID 119496430) is N-(3-aminobutyl)-2-butylsulfanylpropanamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-butylsulfanylpropanamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-butylsulfanylpropanamide;hydrochloride is CCCCSC(C)C(=O)NCCC(C)N.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-butylsulfanylpropanamide;hydrochloride?
The InChIKey is GNTPYSJHIZSQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS.ClH/c1-4-5-8-15-10(3)11(14)13-7-6-9(2)12;/h9-10H,4-8,12H2,1-3H3,(H,13,14);1H.
What are the key properties of N-(3-aminobutyl)-2-butylsulfanylpropanamide;hydrochloride?
N-(3-aminobutyl)-2-butylsulfanylpropanamide;hydrochloride has a molecular weight of 268.85 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-butylsulfanylpropanamide;hydrochloride is sourced from PubChem (CID 119496430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).