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

C16H31Cl2N3OS — CID 119887107

IUPACN-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1(N2CCSCC2)CCCCC1)C1CCNC1
InChIInChI=1S/C16H29N3OS.2ClH/c20-15(14-4-7-17-12-14)18-13-16(5-2-1-3-6-16)19-8-10-21-11-9-19;;/h14,17H,1-13H2,(H,18,20);2*1H
InChIKeyBFHOZXKYZAIKAY-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.31
Rot. Bonds4

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

N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119887107) has the molecular formula C16H31Cl2N3OS and a molecular weight of 384.42 g/mol. Its IUPAC name is N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119887107
Molecular FormulaC16H31Cl2N3OS
Molecular Weight384.42 g/mol
Exact Mass383.16
IUPAC NameN-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1(N2CCSCC2)CCCCC1)C1CCNC1
InChIInChI=1S/C16H29N3OS.2ClH/c20-15(14-4-7-17-12-14)18-13-16(5-2-1-3-6-16)19-8-10-21-11-9-19;;/h14,17H,1-13H2,(H,18,20);2*1H
InChIKeyBFHOZXKYZAIKAY-UHFFFAOYSA-N
XLogP2.31
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119887041
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-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide
CID 112701948
N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119856145
N-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119782174
4-methoxy-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119856169
1-cyclobutyl-1-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
CID 71985715
2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide
CID 120704509
(3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 131134696
4-[(1-thiomorpholin-4-ylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
CID 122031288

Frequently Asked Questions

What is the IUPAC name of N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119887107) is N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC1(N2CCSCC2)CCCCC1)C1CCNC1.
What is the InChIKey of N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is BFHOZXKYZAIKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS.2ClH/c20-15(14-4-7-17-12-14)18-13-16(5-2-1-3-6-16)19-8-10-21-11-9-19;;/h14,17H,1-13H2,(H,18,20);2*1H.
What are the key properties of N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 384.42 g/mol, XLogP of 2.31, 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]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119887107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).