N-methyl-N-prop-2-ynyl-2-sulfanylpropanamide

C7H11NOS — CID 107033435

IUPACN-methyl-N-prop-2-ynyl-2-sulfanylpropanamide
SMILESC#CCN(C)C(=O)C(C)S
InChIInChI=1S/C7H11NOS/c1-4-5-8(3)7(9)6(2)10/h1,6,10H,5H2,2-3H3
InChIKeyJURLDANBXKSCLP-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.40
Rot. Bonds2

About N-methyl-N-prop-2-ynyl-2-sulfanylpropanamide

N-methyl-N-prop-2-ynyl-2-sulfanylpropanamide (PubChem CID 107033435) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is N-methyl-N-prop-2-ynyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-methyl-N-prop-2-ynyl-2-sulfanylpropanamide
PubChem CID107033435
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC NameN-methyl-N-prop-2-ynyl-2-sulfanylpropanamide
SMILESC#CCN(C)C(=O)C(C)S
InChIInChI=1S/C7H11NOS/c1-4-5-8(3)7(9)6(2)10/h1,6,10H,5H2,2-3H3
InChIKeyJURLDANBXKSCLP-UHFFFAOYSA-N
XLogP0.40
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-ynyl-2-sulfanylpropanamide?
The IUPAC name of N-methyl-N-prop-2-ynyl-2-sulfanylpropanamide (CID 107033435) is N-methyl-N-prop-2-ynyl-2-sulfanylpropanamide.
What is the SMILES notation for N-methyl-N-prop-2-ynyl-2-sulfanylpropanamide?
The canonical SMILES for N-methyl-N-prop-2-ynyl-2-sulfanylpropanamide is C#CCN(C)C(=O)C(C)S.
What is the InChIKey of N-methyl-N-prop-2-ynyl-2-sulfanylpropanamide?
The InChIKey is JURLDANBXKSCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-4-5-8(3)7(9)6(2)10/h1,6,10H,5H2,2-3H3.
What are the key properties of N-methyl-N-prop-2-ynyl-2-sulfanylpropanamide?
N-methyl-N-prop-2-ynyl-2-sulfanylpropanamide has a molecular weight of 157.24 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-ynyl-2-sulfanylpropanamide is sourced from PubChem (CID 107033435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).