4-amino-N-[4-(2-methylsulfanylethyl)phenyl]pentanamide;hydrochloride

C14H23ClN2OS — CID 120562087

IUPAC4-amino-N-[4-(2-methylsulfanylethyl)phenyl]pentanamide;hydrochloride
SMILESCSCCc1ccc(NC(=O)CCC(C)N)cc1.Cl
InChIInChI=1S/C14H22N2OS.ClH/c1-11(15)3-8-14(17)16-13-6-4-12(5-7-13)9-10-18-2;/h4-7,11H,3,8-10,15H2,1-2H3,(H,16,17);1H
InChIKeyOLBJELHJMSGEIB-UHFFFAOYSA-N
MW302.87 g/mol
LogP3.08
Rot. Bonds7

About 4-amino-N-[4-(2-methylsulfanylethyl)phenyl]pentanamide;hydrochloride

4-amino-N-[4-(2-methylsulfanylethyl)phenyl]pentanamide;hydrochloride (PubChem CID 120562087) has the molecular formula C14H23ClN2OS and a molecular weight of 302.87 g/mol. Its IUPAC name is 4-amino-N-[4-(2-methylsulfanylethyl)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[4-(2-methylsulfanylethyl)phenyl]pentanamide;hydrochloride
PubChem CID120562087
Molecular FormulaC14H23ClN2OS
Molecular Weight302.87 g/mol
Exact Mass302.12
IUPAC Name4-amino-N-[4-(2-methylsulfanylethyl)phenyl]pentanamide;hydrochloride
SMILESCSCCc1ccc(NC(=O)CCC(C)N)cc1.Cl
InChIInChI=1S/C14H22N2OS.ClH/c1-11(15)3-8-14(17)16-13-6-4-12(5-7-13)9-10-18-2;/h4-7,11H,3,8-10,15H2,1-2H3,(H,16,17);1H
InChIKeyOLBJELHJMSGEIB-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.87
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-(2-methylsulfanylethyl)phenyl]butanamide;hydrochloride
CID 119769613
2-amino-3-methoxy-N-[4-(2-methylsulfanylethyl)phenyl]propanamide;hydrochloride
CID 120988865
2-(3-aminobutylsulfanyl)-N-(4-propylphenyl)acetamide
CID 66233973
4-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride
CID 120562198
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide
CID 120565116
3-[4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]phenyl]propanoic acid
CID 115340050
2-(cyclopropylmethylamino)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide;hydrochloride
CID 119769599
N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769607
5-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 82848160
1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclopropane-1-carboxamide
CID 119769572
4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide;hydrochloride
CID 120559670
4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pentanamide
CID 120559975

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(2-methylsulfanylethyl)phenyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[4-(2-methylsulfanylethyl)phenyl]pentanamide;hydrochloride (CID 120562087) is 4-amino-N-[4-(2-methylsulfanylethyl)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[4-(2-methylsulfanylethyl)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[4-(2-methylsulfanylethyl)phenyl]pentanamide;hydrochloride is CSCCc1ccc(NC(=O)CCC(C)N)cc1.Cl.
What is the InChIKey of 4-amino-N-[4-(2-methylsulfanylethyl)phenyl]pentanamide;hydrochloride?
The InChIKey is OLBJELHJMSGEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS.ClH/c1-11(15)3-8-14(17)16-13-6-4-12(5-7-13)9-10-18-2;/h4-7,11H,3,8-10,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 4-amino-N-[4-(2-methylsulfanylethyl)phenyl]pentanamide;hydrochloride?
4-amino-N-[4-(2-methylsulfanylethyl)phenyl]pentanamide;hydrochloride has a molecular weight of 302.87 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(2-methylsulfanylethyl)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 120562087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).