[4-(aminomethyl)piperidin-1-yl]-(thiolan-2-yl)methanone;hydrochloride

C11H21ClN2OS — CID 119423169

IUPAC[4-(aminomethyl)piperidin-1-yl]-(thiolan-2-yl)methanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)C2CCCS2)CC1
InChIInChI=1S/C11H20N2OS.ClH/c12-8-9-3-5-13(6-4-9)11(14)10-2-1-7-15-10;/h9-10H,1-8,12H2;1H
InChIKeySKMSJNUMYBIKLI-UHFFFAOYSA-N
MW264.82 g/mol
LogP1.50
Rot. Bonds2

About [4-(aminomethyl)piperidin-1-yl]-(thiolan-2-yl)methanone;hydrochloride

[4-(aminomethyl)piperidin-1-yl]-(thiolan-2-yl)methanone;hydrochloride (PubChem CID 119423169) has the molecular formula C11H21ClN2OS and a molecular weight of 264.82 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-(thiolan-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-(thiolan-2-yl)methanone;hydrochloride
PubChem CID119423169
Molecular FormulaC11H21ClN2OS
Molecular Weight264.82 g/mol
Exact Mass264.11
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-(thiolan-2-yl)methanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)C2CCCS2)CC1
InChIInChI=1S/C11H20N2OS.ClH/c12-8-9-3-5-13(6-4-9)11(14)10-2-1-7-15-10;/h9-10H,1-8,12H2;1H
InChIKeySKMSJNUMYBIKLI-UHFFFAOYSA-N
XLogP1.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.82
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(thian-2-yl)methanone
CID 80595887
[4-(2-aminoethyl)piperidin-1-yl]-(thian-2-yl)methanone
CID 80595049
[3-(6-aminohexyl)pyrrolidin-1-yl]-(thiolan-2-yl)methanone
CID 168813793
[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
CID 53256357
[4-(methylamino)piperidin-1-yl]-(thiolan-2-yl)methanone
CID 119560753
[3-(chloromethyl)pyrrolidin-1-yl]-(thian-2-yl)methanone
CID 80595802
piperidin-1-yl(thian-2-yl)methanone
CID 80596392
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiolan-2-yl)methanone
CID 79040739
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(thiolan-2-yl)methanone
CID 80553846
[4-(cyclopropylmethylamino)piperidin-1-yl]-(thian-2-yl)methanone
CID 115307101
[2-(aminomethyl)piperidin-1-yl]-(thian-2-yl)methanone
CID 80595775
(3-fluoroazetidin-1-yl)-(thiolan-2-yl)methanone
CID 130626212

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(thiolan-2-yl)methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(thiolan-2-yl)methanone;hydrochloride (CID 119423169) is [4-(aminomethyl)piperidin-1-yl]-(thiolan-2-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-(thiolan-2-yl)methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-(thiolan-2-yl)methanone;hydrochloride is Cl.NCC1CCN(C(=O)C2CCCS2)CC1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-(thiolan-2-yl)methanone;hydrochloride?
The InChIKey is SKMSJNUMYBIKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS.ClH/c12-8-9-3-5-13(6-4-9)11(14)10-2-1-7-15-10;/h9-10H,1-8,12H2;1H.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-(thiolan-2-yl)methanone;hydrochloride?
[4-(aminomethyl)piperidin-1-yl]-(thiolan-2-yl)methanone;hydrochloride has a molecular weight of 264.82 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-(thiolan-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119423169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).