4-amino-N-[2-(4-chlorophenyl)sulfanylethyl]pentanamide;hydrochloride

C13H20Cl2N2OS — CID 120559309

IUPAC4-amino-N-[2-(4-chlorophenyl)sulfanylethyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCCSc1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H19ClN2OS.ClH/c1-10(15)2-7-13(17)16-8-9-18-12-5-3-11(14)4-6-12;/h3-6,10H,2,7-9,15H2,1H3,(H,16,17);1H
InChIKeyDMQGSDITKQDCOC-UHFFFAOYSA-N
MW323.29 g/mol
LogP3.10
Rot. Bonds7

About 4-amino-N-[2-(4-chlorophenyl)sulfanylethyl]pentanamide;hydrochloride

4-amino-N-[2-(4-chlorophenyl)sulfanylethyl]pentanamide;hydrochloride (PubChem CID 120559309) has the molecular formula C13H20Cl2N2OS and a molecular weight of 323.29 g/mol. Its IUPAC name is 4-amino-N-[2-(4-chlorophenyl)sulfanylethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(4-chlorophenyl)sulfanylethyl]pentanamide;hydrochloride
PubChem CID120559309
Molecular FormulaC13H20Cl2N2OS
Molecular Weight323.29 g/mol
Exact Mass322.07
IUPAC Name4-amino-N-[2-(4-chlorophenyl)sulfanylethyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCCSc1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H19ClN2OS.ClH/c1-10(15)2-7-13(17)16-8-9-18-12-5-3-11(14)4-6-12;/h3-6,10H,2,7-9,15H2,1H3,(H,16,17);1H
InChIKeyDMQGSDITKQDCOC-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 53.10
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

3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]butanamide
CID 119691377
2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 119272218
3-(4-chlorophenyl)sulfanyl-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431353
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]pentanamide;hydrochloride
CID 120560399
(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 2279323
4-(4-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500449
N-(3-aminobutyl)-4-(4-bromophenyl)sulfanylbutanamide
CID 119496503
3-(4-chlorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 102914732
4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559125
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119691382
2-(4-chlorophenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 112781367
4-(4-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)butanamide
CID 43388979

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-chlorophenyl)sulfanylethyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(4-chlorophenyl)sulfanylethyl]pentanamide;hydrochloride (CID 120559309) is 4-amino-N-[2-(4-chlorophenyl)sulfanylethyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(4-chlorophenyl)sulfanylethyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(4-chlorophenyl)sulfanylethyl]pentanamide;hydrochloride is CC(N)CCC(=O)NCCSc1ccc(Cl)cc1.Cl.
What is the InChIKey of 4-amino-N-[2-(4-chlorophenyl)sulfanylethyl]pentanamide;hydrochloride?
The InChIKey is DMQGSDITKQDCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS.ClH/c1-10(15)2-7-13(17)16-8-9-18-12-5-3-11(14)4-6-12;/h3-6,10H,2,7-9,15H2,1H3,(H,16,17);1H.
What are the key properties of 4-amino-N-[2-(4-chlorophenyl)sulfanylethyl]pentanamide;hydrochloride?
4-amino-N-[2-(4-chlorophenyl)sulfanylethyl]pentanamide;hydrochloride has a molecular weight of 323.29 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-chlorophenyl)sulfanylethyl]pentanamide;hydrochloride is sourced from PubChem (CID 120559309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).