4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride

C20H25ClN2OS — CID 119323029

IUPAC4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)NCC2(Sc3ccccc3)CCCC2)cc1
InChIInChI=1S/C20H24N2OS.ClH/c21-14-16-8-10-17(11-9-16)19(23)22-15-20(12-4-5-13-20)24-18-6-2-1-3-7-18;/h1-3,6-11H,4-5,12-15,21H2,(H,22,23);1H
InChIKeyHTQFIVRTLSMZDO-UHFFFAOYSA-N
MW376.95 g/mol
LogP4.40
Rot. Bonds6

About 4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride

4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride (PubChem CID 119323029) has the molecular formula C20H25ClN2OS and a molecular weight of 376.95 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride
PubChem CID119323029
Molecular FormulaC20H25ClN2OS
Molecular Weight376.95 g/mol
Exact Mass376.14
IUPAC Name4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)NCC2(Sc3ccccc3)CCCC2)cc1
InChIInChI=1S/C20H24N2OS.ClH/c21-14-16-8-10-17(11-9-16)19(23)22-15-20(12-4-5-13-20)24-18-6-2-1-3-7-18;/h1-3,6-11H,4-5,12-15,21H2,(H,22,23);1H
InChIKeyHTQFIVRTLSMZDO-UHFFFAOYSA-N
XLogP4.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.95
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide
CID 119323030
1-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119782632
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 119323183
1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433634
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 119323193
4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 82546336
4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
CID 119323040
4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride
CID 119345529
4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide
CID 119332535
2-amino-3-methoxy-N-[(1-phenylsulfanylcyclopentyl)methyl]propanamide
CID 120989523
2-amino-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]acetamide;hydrochloride
CID 119344397
3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119782648

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride (CID 119323029) is 4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride is Cl.NCc1ccc(C(=O)NCC2(Sc3ccccc3)CCCC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride?
The InChIKey is HTQFIVRTLSMZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS.ClH/c21-14-16-8-10-17(11-9-16)19(23)22-15-20(12-4-5-13-20)24-18-6-2-1-3-7-18;/h1-3,6-11H,4-5,12-15,21H2,(H,22,23);1H.
What are the key properties of 4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride has a molecular weight of 376.95 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119323029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).