(2R)-2-amino-N-methyl-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentyl]-3-sulfanylpropanamide

C18H26N4OS — CID 11688810

IUPAC(2R)-2-amino-N-methyl-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentyl]-3-sulfanylpropanamide
SMILESCCCC[C@@H](c1ncc(-c2ccccc2)[nH]1)N(C)C(=O)[C@@H](N)CS
InChIInChI=1S/C18H26N4OS/c1-3-4-10-16(22(2)18(23)14(19)12-24)17-20-11-15(21-17)13-8-6-5-7-9-13/h5-9,11,14,16,24H,3-4,10,12,19H2,1-2H3,(H,20,21)/t14-,16-/m0/s1
InChIKeyUSLNTELLRYNNFO-HOCLYGCPSA-N
MW346.50 g/mol
LogP3.02
Rot. Bonds8

About (2R)-2-amino-N-methyl-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentyl]-3-sulfanylpropanamide

(2R)-2-amino-N-methyl-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentyl]-3-sulfanylpropanamide (PubChem CID 11688810) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is (2R)-2-amino-N-methyl-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentyl]-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-methyl-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentyl]-3-sulfanylpropanamide
PubChem CID11688810
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name(2R)-2-amino-N-methyl-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentyl]-3-sulfanylpropanamide
SMILESCCCC[C@@H](c1ncc(-c2ccccc2)[nH]1)N(C)C(=O)[C@@H](N)CS
InChIInChI=1S/C18H26N4OS/c1-3-4-10-16(22(2)18(23)14(19)12-24)17-20-11-15(21-17)13-8-6-5-7-9-13/h5-9,11,14,16,24H,3-4,10,12,19H2,1-2H3,(H,20,21)/t14-,16-/m0/s1
InChIKeyUSLNTELLRYNNFO-HOCLYGCPSA-N
XLogP3.02
TPSA75.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 67213867
(1R)-N,N-dihexyl-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine
CID 67214777
tert-butyl-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)butyl]carbamic acid
CID 67214955
2-amino-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid
CID 23509804
2-(5-phenyl-1H-imidazol-2-yl)butan-1-amine
CID 65233105
2-methyl-3-[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]amino]-3-oxopropanoic acid
CID 122066171
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]heptanoic acid
CID 10733322
2-amino-2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881459
(S)-phenyl-(5-phenyl-1H-imidazol-2-yl)methanamine
CID 67214897
(1R)-N-(2-methylpropyl)-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine
CID 67214186
3-[2-(1-aminopentyl)-1H-imidazol-5-yl]benzonitrile
CID 63992522
tert-butyl-[(1R)-1-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]heptyl]carbamic acid
CID 67213698

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-methyl-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentyl]-3-sulfanylpropanamide?
The IUPAC name of (2R)-2-amino-N-methyl-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentyl]-3-sulfanylpropanamide (CID 11688810) is (2R)-2-amino-N-methyl-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentyl]-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-methyl-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentyl]-3-sulfanylpropanamide?
The canonical SMILES for (2R)-2-amino-N-methyl-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentyl]-3-sulfanylpropanamide is CCCC[C@@H](c1ncc(-c2ccccc2)[nH]1)N(C)C(=O)[C@@H](N)CS.
What is the InChIKey of (2R)-2-amino-N-methyl-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentyl]-3-sulfanylpropanamide?
The InChIKey is USLNTELLRYNNFO-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-3-4-10-16(22(2)18(23)14(19)12-24)17-20-11-15(21-17)13-8-6-5-7-9-13/h5-9,11,14,16,24H,3-4,10,12,19H2,1-2H3,(H,20,21)/t14-,16-/m0/s1.
What are the key properties of (2R)-2-amino-N-methyl-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentyl]-3-sulfanylpropanamide?
(2R)-2-amino-N-methyl-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentyl]-3-sulfanylpropanamide has a molecular weight of 346.50 g/mol, XLogP of 3.02, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-methyl-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentyl]-3-sulfanylpropanamide is sourced from PubChem (CID 11688810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).