N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]pyrrolidine-2-carboxamide

C16H27N3O2S — CID 119309724

IUPACN-[4-(thiomorpholine-4-carbonyl)cyclohexyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCC(C(=O)N2CCSCC2)CC1)C1CCCN1
InChIInChI=1S/C16H27N3O2S/c20-15(14-2-1-7-17-14)18-13-5-3-12(4-6-13)16(21)19-8-10-22-11-9-19/h12-14,17H,1-11H2,(H,18,20)
InChIKeySEJXVSXDLZSOME-UHFFFAOYSA-N
MW325.48 g/mol
LogP0.99
Rot. Bonds3

About N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]pyrrolidine-2-carboxamide

N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]pyrrolidine-2-carboxamide (PubChem CID 119309724) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(thiomorpholine-4-carbonyl)cyclohexyl]pyrrolidine-2-carboxamide
PubChem CID119309724
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC NameN-[4-(thiomorpholine-4-carbonyl)cyclohexyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CCC(C(=O)N2CCSCC2)CC1)C1CCCN1
InChIInChI=1S/C16H27N3O2S/c20-15(14-2-1-7-17-14)18-13-5-3-12(4-6-13)16(21)19-8-10-22-11-9-19/h12-14,17H,1-11H2,(H,18,20)
InChIKeySEJXVSXDLZSOME-UHFFFAOYSA-N
XLogP0.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(thian-4-yl)pyrrolidine-2-carboxamide
CID 115626530
[(2S)-pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 66548475
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
(2R)-N-(thian-4-yl)piperidine-2-carboxamide
CID 103810216
(2S)-N-(thian-4-yl)piperidine-2-carboxamide
CID 103810217
[(2R)-piperidin-2-yl]-thiomorpholin-4-ylmethanone
CID 28787415
azepan-2-yl(thiomorpholin-4-yl)methanone
CID 64563385
cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride
CID 71888790
N-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]cyclopropanecarboxamide;hydrochloride
CID 119702485
N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 18072889
cyclopropyl(1,4-thiazepan-4-yl)methanone
CID 60773784
(2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 130690073

Frequently Asked Questions

What is the IUPAC name of N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]pyrrolidine-2-carboxamide (CID 119309724) is N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]pyrrolidine-2-carboxamide is O=C(NC1CCC(C(=O)N2CCSCC2)CC1)C1CCCN1.
What is the InChIKey of N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]pyrrolidine-2-carboxamide?
The InChIKey is SEJXVSXDLZSOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c20-15(14-2-1-7-17-14)18-13-5-3-12(4-6-13)16(21)19-8-10-22-11-9-19/h12-14,17H,1-11H2,(H,18,20).
What are the key properties of N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]pyrrolidine-2-carboxamide?
N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]pyrrolidine-2-carboxamide has a molecular weight of 325.48 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119309724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).