N-propyl-N-prop-2-ynyl-2-sulfanylpropanamide

C9H15NOS — CID 107033460

IUPACN-propyl-N-prop-2-ynyl-2-sulfanylpropanamide
SMILESC#CCN(CCC)C(=O)C(C)S
InChIInChI=1S/C9H15NOS/c1-4-6-10(7-5-2)9(11)8(3)12/h1,8,12H,5-7H2,2-3H3
InChIKeyRBMRPCIBSVEVOG-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.18
Rot. Bonds4

About N-propyl-N-prop-2-ynyl-2-sulfanylpropanamide

N-propyl-N-prop-2-ynyl-2-sulfanylpropanamide (PubChem CID 107033460) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is N-propyl-N-prop-2-ynyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-propyl-N-prop-2-ynyl-2-sulfanylpropanamide
PubChem CID107033460
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC NameN-propyl-N-prop-2-ynyl-2-sulfanylpropanamide
SMILESC#CCN(CCC)C(=O)C(C)S
InChIInChI=1S/C9H15NOS/c1-4-6-10(7-5-2)9(11)8(3)12/h1,8,12H,5-7H2,2-3H3
InChIKeyRBMRPCIBSVEVOG-UHFFFAOYSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.18
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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Related Compounds

2,2-dichloro-N-propyl-N-prop-2-ynylacetamide
CID 13324355
(2R)-2-amino-4-methylsulfanyl-N-propyl-N-prop-2-ynylbutanamide
CID 104908902
N-methyl-N-prop-2-ynyl-2-sulfanylpropanamide
CID 107033435
N-propyl-N-prop-2-ynyl-2-pyrazol-1-ylpropanamide
CID 78971099
N-propyl-N-prop-2-ynylpyrrolidine-1-carboxamide
CID 78969952
3,4,4-trimethyl-N-propyl-N-prop-2-ynylpentanamide
CID 78952265
(2S,3R)-3-hydroxy-2-[[propyl(prop-2-ynyl)carbamoyl]amino]butanoic acid
CID 104966481
3,3,3-trifluoro-N-propyl-N-prop-2-ynylpropanamide
CID 78971073
N-propyl-N-prop-2-ynylcycloheptanecarboxamide
CID 78917353
2-bromo-N,N-bis(prop-2-ynyl)butanamide
CID 163668178
N-ethyl-3-methyl-N-propyl-2-sulfanylbutanamide
CID 107022405
(2R)-4-methylsulfanyl-2-[[propyl(prop-2-ynyl)carbamoyl]amino]butanoic acid
CID 104910508

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-prop-2-ynyl-2-sulfanylpropanamide?
The IUPAC name of N-propyl-N-prop-2-ynyl-2-sulfanylpropanamide (CID 107033460) is N-propyl-N-prop-2-ynyl-2-sulfanylpropanamide.
What is the SMILES notation for N-propyl-N-prop-2-ynyl-2-sulfanylpropanamide?
The canonical SMILES for N-propyl-N-prop-2-ynyl-2-sulfanylpropanamide is C#CCN(CCC)C(=O)C(C)S.
What is the InChIKey of N-propyl-N-prop-2-ynyl-2-sulfanylpropanamide?
The InChIKey is RBMRPCIBSVEVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-4-6-10(7-5-2)9(11)8(3)12/h1,8,12H,5-7H2,2-3H3.
What are the key properties of N-propyl-N-prop-2-ynyl-2-sulfanylpropanamide?
N-propyl-N-prop-2-ynyl-2-sulfanylpropanamide has a molecular weight of 185.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-prop-2-ynyl-2-sulfanylpropanamide is sourced from PubChem (CID 107033460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).