N-prop-2-ynyl-2-(thiolan-3-ylamino)propanamide

C10H16N2OS — CID 103062976

IUPACN-prop-2-ynyl-2-(thiolan-3-ylamino)propanamide
SMILESC#CCNC(=O)C(C)NC1CCSC1
InChIInChI=1S/C10H16N2OS/c1-3-5-11-10(13)8(2)12-9-4-6-14-7-9/h1,8-9,12H,4-7H2,2H3,(H,11,13)
InChIKeyXPMYKEYBBGXDGF-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.22
Rot. Bonds4

About N-prop-2-ynyl-2-(thiolan-3-ylamino)propanamide

N-prop-2-ynyl-2-(thiolan-3-ylamino)propanamide (PubChem CID 103062976) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-prop-2-ynyl-2-(thiolan-3-ylamino)propanamide.

Molecular Properties

Compound NameN-prop-2-ynyl-2-(thiolan-3-ylamino)propanamide
PubChem CID103062976
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-prop-2-ynyl-2-(thiolan-3-ylamino)propanamide
SMILESC#CCNC(=O)C(C)NC1CCSC1
InChIInChI=1S/C10H16N2OS/c1-3-5-11-10(13)8(2)12-9-4-6-14-7-9/h1,8-9,12H,4-7H2,2H3,(H,11,13)
InChIKeyXPMYKEYBBGXDGF-UHFFFAOYSA-N
XLogP0.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-2-(thiolan-3-ylamino)propanamide?
The IUPAC name of N-prop-2-ynyl-2-(thiolan-3-ylamino)propanamide (CID 103062976) is N-prop-2-ynyl-2-(thiolan-3-ylamino)propanamide.
What is the SMILES notation for N-prop-2-ynyl-2-(thiolan-3-ylamino)propanamide?
The canonical SMILES for N-prop-2-ynyl-2-(thiolan-3-ylamino)propanamide is C#CCNC(=O)C(C)NC1CCSC1.
What is the InChIKey of N-prop-2-ynyl-2-(thiolan-3-ylamino)propanamide?
The InChIKey is XPMYKEYBBGXDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-5-11-10(13)8(2)12-9-4-6-14-7-9/h1,8-9,12H,4-7H2,2H3,(H,11,13).
What are the key properties of N-prop-2-ynyl-2-(thiolan-3-ylamino)propanamide?
N-prop-2-ynyl-2-(thiolan-3-ylamino)propanamide has a molecular weight of 212.32 g/mol, XLogP of 0.22, 4 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-(thiolan-3-ylamino)propanamide is sourced from PubChem (CID 103062976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).