N-[(5-chlorothiophen-2-yl)methyl]-2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methylacetamide;hydrochloride

C17H27Cl2N3OS — CID 119933422

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methylacetamide;hydrochloride
SMILESCN(Cc1ccc(Cl)s1)C(=O)CN1CCNCC12CCCCC2.Cl
InChIInChI=1S/C17H26ClN3OS.ClH/c1-20(11-14-5-6-15(18)23-14)16(22)12-21-10-9-19-13-17(21)7-3-2-4-8-17;/h5-6,19H,2-4,7-13H2,1H3;1H
InChIKeyRVLHADNQCVPIMN-UHFFFAOYSA-N
MW392.40 g/mol
LogP3.39
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methylacetamide;hydrochloride

N-[(5-chlorothiophen-2-yl)methyl]-2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methylacetamide;hydrochloride (PubChem CID 119933422) has the molecular formula C17H27Cl2N3OS and a molecular weight of 392.40 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methylacetamide;hydrochloride
PubChem CID119933422
Molecular FormulaC17H27Cl2N3OS
Molecular Weight392.40 g/mol
Exact Mass391.13
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methylacetamide;hydrochloride
SMILESCN(Cc1ccc(Cl)s1)C(=O)CN1CCNCC12CCCCC2.Cl
InChIInChI=1S/C17H26ClN3OS.ClH/c1-20(11-14-5-6-15(18)23-14)16(22)12-21-10-9-19-13-17(21)7-3-2-4-8-17;/h5-6,19H,2-4,7-13H2,1H3;1H
InChIKeyRVLHADNQCVPIMN-UHFFFAOYSA-N
XLogP3.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methylacetamide;hydrochloride?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methylacetamide;hydrochloride (CID 119933422) is N-[(5-chlorothiophen-2-yl)methyl]-2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methylacetamide;hydrochloride is CN(Cc1ccc(Cl)s1)C(=O)CN1CCNCC12CCCCC2.Cl.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methylacetamide;hydrochloride?
The InChIKey is RVLHADNQCVPIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3OS.ClH/c1-20(11-14-5-6-15(18)23-14)16(22)12-21-10-9-19-13-17(21)7-3-2-4-8-17;/h5-6,19H,2-4,7-13H2,1H3;1H.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methylacetamide;hydrochloride?
N-[(5-chlorothiophen-2-yl)methyl]-2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methylacetamide;hydrochloride has a molecular weight of 392.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(1,4-diazaspiro[5.5]undecan-1-yl)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119933422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).