N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide

C10H20N4O2S — CID 83111071

IUPACN-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)C1CSCCN1
InChIInChI=1S/C10H20N4O2S/c1-14(2)10(16)13-4-3-12-9(15)8-7-17-6-5-11-8/h8,11H,3-7H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyYYSHKKPKCHWCKP-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.92
Rot. Bonds4

About N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide

N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide (PubChem CID 83111071) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide
PubChem CID83111071
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)C1CSCCN1
InChIInChI=1S/C10H20N4O2S/c1-14(2)10(16)13-4-3-12-9(15)8-7-17-6-5-11-8/h8,11H,3-7H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyYYSHKKPKCHWCKP-UHFFFAOYSA-N
XLogP-0.92
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)thiomorpholine-3-carboxamide
CID 82908482
N-[2-(dimethylcarbamoylamino)ethyl]piperidine-2-carboxamide
CID 83110133
N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82917884
N-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-3-carboxamide
CID 82909171
N-[2-(dimethylcarbamoylamino)ethyl]azepane-2-carboxamide
CID 83110160
N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide
CID 82917885
2-methyl-3-(thiomorpholine-3-carbonylamino)propanoic acid
CID 82908166
N-prop-2-ynylthiomorpholine-3-carboxamide
CID 82905662
N-[2-(4-methylcyclohexyl)ethyl]thiomorpholine-3-carboxamide
CID 82917563
N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide
CID 82908917
N-[3-[ethyl(methylsulfonyl)amino]propyl]thiomorpholine-3-carboxamide
CID 82908390
N-[2-(trifluoromethylsulfanyl)ethyl]thiomorpholine-3-carboxamide
CID 106428279

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide (CID 83111071) is N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide is CN(C)C(=O)NCCNC(=O)C1CSCCN1.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide?
The InChIKey is YYSHKKPKCHWCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-14(2)10(16)13-4-3-12-9(15)8-7-17-6-5-11-8/h8,11H,3-7H2,1-2H3,(H,12,15)(H,13,16).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide?
N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide has a molecular weight of 260.36 g/mol, XLogP of -0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 83111071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).