N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide;dihydrochloride

C17H33Cl2N3OS — CID 119887041

IUPACN-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1(N2CCSCC2)CCCCC1)C1CCCNC1
InChIInChI=1S/C17H31N3OS.2ClH/c21-16(15-5-4-8-18-13-15)19-14-17(6-2-1-3-7-17)20-9-11-22-12-10-20;;/h15,18H,1-14H2,(H,19,21);2*1H
InChIKeyFNMSSFIOFYWUAV-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.70
Rot. Bonds4

About N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide;dihydrochloride

N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119887041) has the molecular formula C17H33Cl2N3OS and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119887041
Molecular FormulaC17H33Cl2N3OS
Molecular Weight398.44 g/mol
Exact Mass397.17
IUPAC NameN-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1(N2CCSCC2)CCCCC1)C1CCCNC1
InChIInChI=1S/C17H31N3OS.2ClH/c21-16(15-5-4-8-18-13-15)19-14-17(6-2-1-3-7-17)20-9-11-22-12-10-20;;/h15,18H,1-14H2,(H,19,21);2*1H
InChIKeyFNMSSFIOFYWUAV-UHFFFAOYSA-N
XLogP2.70
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119887107
N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide
CID 63006010
N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide;trihydrochloride
CID 119903563
N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrrolidine-3-carboxamide
CID 119886746
N-[(1-ethylcyclopentyl)methyl]piperidine-3-carboxamide
CID 103797871
N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119856145
(3R)-N-[(1-hydroxycyclobutyl)methyl]piperidine-3-carboxamide
CID 104874196
N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]piperidine-3-carboxamide
CID 119896432
(3R)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]piperidine-3-carboxamide
CID 104969411
N-[(1,4-dimethylpiperidin-4-yl)methyl]piperidine-3-carboxamide
CID 107163930
2-[1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81161187
4-methoxy-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119856169

Frequently Asked Questions

What is the IUPAC name of N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide;dihydrochloride (CID 119887041) is N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC1(N2CCSCC2)CCCCC1)C1CCCNC1.
What is the InChIKey of N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is FNMSSFIOFYWUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3OS.2ClH/c21-16(15-5-4-8-18-13-15)19-14-17(6-2-1-3-7-17)20-9-11-22-12-10-20;;/h15,18H,1-14H2,(H,19,21);2*1H.
What are the key properties of N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide;dihydrochloride?
N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 398.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119887041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).