N-(2-pyrrolidin-1-ylpropyl)thiomorpholine-3-carboxamide

C12H23N3OS — CID 82917775

IUPACN-(2-pyrrolidin-1-ylpropyl)thiomorpholine-3-carboxamide
SMILESCC(CNC(=O)C1CSCCN1)N1CCCC1
InChIInChI=1S/C12H23N3OS/c1-10(15-5-2-3-6-15)8-14-12(16)11-9-17-7-4-13-11/h10-11,13H,2-9H2,1H3,(H,14,16)
InChIKeySFIPJVVXYMRVPY-UHFFFAOYSA-N
MW257.40 g/mol
LogP0.29
Rot. Bonds4

About N-(2-pyrrolidin-1-ylpropyl)thiomorpholine-3-carboxamide

N-(2-pyrrolidin-1-ylpropyl)thiomorpholine-3-carboxamide (PubChem CID 82917775) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylpropyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylpropyl)thiomorpholine-3-carboxamide
PubChem CID82917775
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-(2-pyrrolidin-1-ylpropyl)thiomorpholine-3-carboxamide
SMILESCC(CNC(=O)C1CSCCN1)N1CCCC1
InChIInChI=1S/C12H23N3OS/c1-10(15-5-2-3-6-15)8-14-12(16)11-9-17-7-4-13-11/h10-11,13H,2-9H2,1H3,(H,14,16)
InChIKeySFIPJVVXYMRVPY-UHFFFAOYSA-N
XLogP0.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 61165549
2-methyl-3-(thiomorpholine-3-carbonylamino)propanoic acid
CID 82908166
N-prop-2-ynylthiomorpholine-3-carboxamide
CID 82905662
N-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-3-carboxamide
CID 82909171
N-[2-(4-methylpiperazin-1-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119942620
4,4-dimethyl-2-[(thiomorpholine-3-carbonylamino)methyl]pentanoic acid
CID 107475624
N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide
CID 119902120
N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;trihydrochloride
CID 119902119
N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide
CID 83111071
(2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide
CID 61273549
N-[(1-methylpiperidin-4-yl)methyl]thiomorpholine-3-carboxamide
CID 82908667
N-ethyl-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide
CID 82909327

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylpropyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylpropyl)thiomorpholine-3-carboxamide (CID 82917775) is N-(2-pyrrolidin-1-ylpropyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylpropyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylpropyl)thiomorpholine-3-carboxamide is CC(CNC(=O)C1CSCCN1)N1CCCC1.
What is the InChIKey of N-(2-pyrrolidin-1-ylpropyl)thiomorpholine-3-carboxamide?
The InChIKey is SFIPJVVXYMRVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-10(15-5-2-3-6-15)8-14-12(16)11-9-17-7-4-13-11/h10-11,13H,2-9H2,1H3,(H,14,16).
What are the key properties of N-(2-pyrrolidin-1-ylpropyl)thiomorpholine-3-carboxamide?
N-(2-pyrrolidin-1-ylpropyl)thiomorpholine-3-carboxamide has a molecular weight of 257.40 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylpropyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82917775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).