N-(2-aminoethyl)thiomorpholine-3-carboxamide

C7H15N3OS — CID 82908482

IUPACN-(2-aminoethyl)thiomorpholine-3-carboxamide
SMILESNCCNC(=O)C1CSCCN1
InChIInChI=1S/C7H15N3OS/c8-1-2-10-7(11)6-5-12-4-3-9-6/h6,9H,1-5,8H2,(H,10,11)
InChIKeyHOXUCCNVGXIRJC-UHFFFAOYSA-N
MW189.28 g/mol
LogP-1.23
Rot. Bonds3

About N-(2-aminoethyl)thiomorpholine-3-carboxamide

N-(2-aminoethyl)thiomorpholine-3-carboxamide (PubChem CID 82908482) has the molecular formula C7H15N3OS and a molecular weight of 189.28 g/mol. Its IUPAC name is N-(2-aminoethyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)thiomorpholine-3-carboxamide
PubChem CID82908482
Molecular FormulaC7H15N3OS
Molecular Weight189.28 g/mol
Exact Mass189.09
IUPAC NameN-(2-aminoethyl)thiomorpholine-3-carboxamide
SMILESNCCNC(=O)C1CSCCN1
InChIInChI=1S/C7H15N3OS/c8-1-2-10-7(11)6-5-12-4-3-9-6/h6,9H,1-5,8H2,(H,10,11)
InChIKeyHOXUCCNVGXIRJC-UHFFFAOYSA-N
XLogP-1.23
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(thiomorpholine-3-carbonylamino)propanoic acid
CID 82908166
N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82917884
N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide
CID 83111071
N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide
CID 82917885
N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide
CID 82908917
thiomorpholine-3-carbohydrazide
CID 14045872
N-[2-(trifluoromethylsulfanyl)ethyl]thiomorpholine-3-carboxamide
CID 106428279
N-prop-2-ynylthiomorpholine-3-carboxamide
CID 82905662
N-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide
CID 82917563
N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide
CID 61276051
N-[3-[ethyl(methylsulfonyl)amino]propyl]thiomorpholine-3-carboxamide
CID 82908390
N-(2-prop-2-ynylsulfanylethyl)thiomorpholine-3-carboxamide
CID 106427953

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)thiomorpholine-3-carboxamide (CID 82908482) is N-(2-aminoethyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)thiomorpholine-3-carboxamide is NCCNC(=O)C1CSCCN1.
What is the InChIKey of N-(2-aminoethyl)thiomorpholine-3-carboxamide?
The InChIKey is HOXUCCNVGXIRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3OS/c8-1-2-10-7(11)6-5-12-4-3-9-6/h6,9H,1-5,8H2,(H,10,11).
What are the key properties of N-(2-aminoethyl)thiomorpholine-3-carboxamide?
N-(2-aminoethyl)thiomorpholine-3-carboxamide has a molecular weight of 189.28 g/mol, XLogP of -1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82908482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).