1-(aminomethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride

C14H23ClN2OS — CID 119689274

IUPAC1-(aminomethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1ccsc1CN(C)C(=O)C1(CN)CCCC1.Cl
InChIInChI=1S/C14H22N2OS.ClH/c1-11-5-8-18-12(11)9-16(2)13(17)14(10-15)6-3-4-7-14;/h5,8H,3-4,6-7,9-10,15H2,1-2H3;1H
InChIKeyWQKDBXMTMIUCDA-UHFFFAOYSA-N
MW302.87 g/mol
LogP2.96
Rot. Bonds4

About 1-(aminomethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride

1-(aminomethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119689274) has the molecular formula C14H23ClN2OS and a molecular weight of 302.87 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119689274
Molecular FormulaC14H23ClN2OS
Molecular Weight302.87 g/mol
Exact Mass302.12
IUPAC Name1-(aminomethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1ccsc1CN(C)C(=O)C1(CN)CCCC1.Cl
InChIInChI=1S/C14H22N2OS.ClH/c1-11-5-8-18-12(11)9-16(2)13(17)14(10-15)6-3-4-7-14;/h5,8H,3-4,6-7,9-10,15H2,1-2H3;1H
InChIKeyWQKDBXMTMIUCDA-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.87
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119689266
1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60952628
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 80588544
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60939275
1-(aminomethyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119704995
1-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115447419
3-amino-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 62668717
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307
1-(aminomethyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115448155
6-amino-N,4,4-trimethyl-N-[(3-methylthiophen-2-yl)methyl]hexanamide
CID 65290725
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119689274) is 1-(aminomethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride is Cc1ccsc1CN(C)C(=O)C1(CN)CCCC1.Cl.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is WQKDBXMTMIUCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS.ClH/c1-11-5-8-18-12(11)9-16(2)13(17)14(10-15)6-3-4-7-14;/h5,8H,3-4,6-7,9-10,15H2,1-2H3;1H.
What are the key properties of 1-(aminomethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
1-(aminomethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 302.87 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119689274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).