N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide

C9H14N2OS — CID 66421607

IUPACN-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
SMILESC#CCNC(=O)CC1CSCCN1
InChIInChI=1S/C9H14N2OS/c1-2-3-11-9(12)6-8-7-13-5-4-10-8/h1,8,10H,3-7H2,(H,11,12)
InChIKeyAXKDECAIGCVZFM-UHFFFAOYSA-N
MW198.29 g/mol
LogP-0.17
Rot. Bonds3

About N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide

N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide (PubChem CID 66421607) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
PubChem CID66421607
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
SMILESC#CCNC(=O)CC1CSCCN1
InChIInChI=1S/C9H14N2OS/c1-2-3-11-9(12)6-8-7-13-5-4-10-8/h1,8,10H,3-7H2,(H,11,12)
InChIKeyAXKDECAIGCVZFM-UHFFFAOYSA-N
XLogP-0.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576
N-prop-2-ynylthiomorpholine-3-carboxamide
CID 82905662
N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide
CID 66423008
2-hydroxy-2-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoic acid
CID 66420533
N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide
CID 66421910
N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide
CID 66421807
N-(2-piperidin-1-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 66422483
N,2,2-trimethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 114167326
N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66421416
N-[(1-hydroxycyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422108
2-ethyl-2-[[(2-thiomorpholin-3-ylacetyl)amino]methyl]butanoic acid
CID 115430291

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide (CID 66421607) is N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide is C#CCNC(=O)CC1CSCCN1.
What is the InChIKey of N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide?
The InChIKey is AXKDECAIGCVZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-3-11-9(12)6-8-7-13-5-4-10-8/h1,8,10H,3-7H2,(H,11,12).
What are the key properties of N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide?
N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide has a molecular weight of 198.29 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66421607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).