N-(thian-4-yl)piperidine-4-carboxamide;hydrochloride

C11H21ClN2OS — CID 119313224

IUPACN-(thian-4-yl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCSCC1)C1CCNCC1
InChIInChI=1S/C11H20N2OS.ClH/c14-11(9-1-5-12-6-2-9)13-10-3-7-15-8-4-10;/h9-10,12H,1-8H2,(H,13,14);1H
InChIKeyTWBHTOHVQAGKAL-UHFFFAOYSA-N
MW264.82 g/mol
LogP1.42
Rot. Bonds2

About N-(thian-4-yl)piperidine-4-carboxamide;hydrochloride

N-(thian-4-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119313224) has the molecular formula C11H21ClN2OS and a molecular weight of 264.82 g/mol. Its IUPAC name is N-(thian-4-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(thian-4-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID119313224
Molecular FormulaC11H21ClN2OS
Molecular Weight264.82 g/mol
Exact Mass264.11
IUPAC NameN-(thian-4-yl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCSCC1)C1CCNCC1
InChIInChI=1S/C11H20N2OS.ClH/c14-11(9-1-5-12-6-2-9)13-10-3-7-15-8-4-10;/h9-10,12H,1-8H2,(H,13,14);1H
InChIKeyTWBHTOHVQAGKAL-UHFFFAOYSA-N
XLogP1.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.82
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 103811764
N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide;hydrochloride
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N-(oxan-4-yl)piperidine-4-carboxamide;hydrochloride
CID 172899475
N-[(3R)-pyrrolidin-3-yl]piperidine-4-carboxamide
CID 91470745
N-piperidin-4-ylcycloheptanecarboxamide
CID 62587546
N-[3-(piperidine-4-carbonylamino)cyclohexyl]piperidine-4-carboxamide
CID 171722600
N-piperidin-4-ylazetidine-3-carboxamide
CID 123647317
N-[(3R)-pyrrolidin-3-yl]thiolane-3-carboxamide
CID 79689053
3-amino-N-(thian-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119765678
N-(azepan-4-yl)cyclohexanecarboxamide
CID 105059767

Frequently Asked Questions

What is the IUPAC name of N-(thian-4-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(thian-4-yl)piperidine-4-carboxamide;hydrochloride (CID 119313224) is N-(thian-4-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(thian-4-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(thian-4-yl)piperidine-4-carboxamide;hydrochloride is Cl.O=C(NC1CCSCC1)C1CCNCC1.
What is the InChIKey of N-(thian-4-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is TWBHTOHVQAGKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS.ClH/c14-11(9-1-5-12-6-2-9)13-10-3-7-15-8-4-10;/h9-10,12H,1-8H2,(H,13,14);1H.
What are the key properties of N-(thian-4-yl)piperidine-4-carboxamide;hydrochloride?
N-(thian-4-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 264.82 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-4-yl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119313224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).