N-pentan-2-ylthiomorpholine-3-carboxamide

C10H20N2OS — CID 82906662

IUPACN-pentan-2-ylthiomorpholine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CSCCN1
InChIInChI=1S/C10H20N2OS/c1-3-4-8(2)12-10(13)9-7-14-6-5-11-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyLOZHOCFSQNSILD-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.00
Rot. Bonds4

About N-pentan-2-ylthiomorpholine-3-carboxamide

N-pentan-2-ylthiomorpholine-3-carboxamide (PubChem CID 82906662) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-pentan-2-ylthiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-pentan-2-ylthiomorpholine-3-carboxamide
PubChem CID82906662
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-pentan-2-ylthiomorpholine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CSCCN1
InChIInChI=1S/C10H20N2OS/c1-3-4-8(2)12-10(13)9-7-14-6-5-11-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyLOZHOCFSQNSILD-UHFFFAOYSA-N
XLogP1.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide
CID 82909094
N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide
CID 82916572
N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82905472
2-(thiomorpholine-3-carbonylamino)butanoic acid
CID 82908141
N-pent-1-yn-3-ylthiomorpholine-3-carboxamide
CID 106230343
2-methylpentyl thiomorpholine-3-carboxylate
CID 103284300
N-(1-methoxybutan-2-yl)thiomorpholine-3-carboxamide
CID 82917888
N-(1-thiophen-3-ylpropan-2-yl)thiomorpholine-3-carboxamide
CID 82908664
N-(4-hydroxybutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 83177193
N-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide
CID 82918098
2-methyl-3-(thiomorpholine-3-carbonylamino)propanoic acid
CID 82908166
N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 115734458

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-ylthiomorpholine-3-carboxamide?
The IUPAC name of N-pentan-2-ylthiomorpholine-3-carboxamide (CID 82906662) is N-pentan-2-ylthiomorpholine-3-carboxamide.
What is the SMILES notation for N-pentan-2-ylthiomorpholine-3-carboxamide?
The canonical SMILES for N-pentan-2-ylthiomorpholine-3-carboxamide is CCCC(C)NC(=O)C1CSCCN1.
What is the InChIKey of N-pentan-2-ylthiomorpholine-3-carboxamide?
The InChIKey is LOZHOCFSQNSILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-3-4-8(2)12-10(13)9-7-14-6-5-11-9/h8-9,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-pentan-2-ylthiomorpholine-3-carboxamide?
N-pentan-2-ylthiomorpholine-3-carboxamide has a molecular weight of 216.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-ylthiomorpholine-3-carboxamide is sourced from PubChem (CID 82906662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).