N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride

C14H22Cl2N2OS — CID 154577733

IUPACN-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride
SMILESCl.NCC1CCC(NC(=O)CCc2ccc(Cl)s2)CC1
InChIInChI=1S/C14H21ClN2OS.ClH/c15-13-7-5-12(19-13)6-8-14(18)17-11-3-1-10(9-16)2-4-11;/h5,7,10-11H,1-4,6,8-9,16H2,(H,17,18);1H
InChIKeyHANSNHNVPNUSMH-UHFFFAOYSA-N
MW337.32 g/mol
LogP3.39
Rot. Bonds5

About N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride

N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride (PubChem CID 154577733) has the molecular formula C14H22Cl2N2OS and a molecular weight of 337.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride
PubChem CID154577733
Molecular FormulaC14H22Cl2N2OS
Molecular Weight337.32 g/mol
Exact Mass336.08
IUPAC NameN-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride
SMILESCl.NCC1CCC(NC(=O)CCc2ccc(Cl)s2)CC1
InChIInChI=1S/C14H21ClN2OS.ClH/c15-13-7-5-12(19-13)6-8-14(18)17-11-3-1-10(9-16)2-4-11;/h5,7,10-11H,1-4,6,8-9,16H2,(H,17,18);1H
InChIKeyHANSNHNVPNUSMH-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride?
The IUPAC name of N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride (CID 154577733) is N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride is Cl.NCC1CCC(NC(=O)CCc2ccc(Cl)s2)CC1.
What is the InChIKey of N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride?
The InChIKey is HANSNHNVPNUSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2OS.ClH/c15-13-7-5-12(19-13)6-8-14(18)17-11-3-1-10(9-16)2-4-11;/h5,7,10-11H,1-4,6,8-9,16H2,(H,17,18);1H.
What are the key properties of N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride?
N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride has a molecular weight of 337.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)cyclohexyl]-3-(5-chlorothiophen-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 154577733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).