N-propyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide

C14H21N3O3S2 — CID 7594067

IUPACN-propyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
SMILESCCCNC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C14H21N3O3S2/c1-2-7-15-13(18)11-21-14-6-5-12(10-16-14)22(19,20)17-8-3-4-9-17/h5-6,10H,2-4,7-9,11H2,1H3,(H,15,18)
InChIKeyLYAULIIFPDSAKW-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.48
Rot. Bonds7

About N-propyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide

N-propyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 7594067) has the molecular formula C14H21N3O3S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-propyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-propyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID7594067
Molecular FormulaC14H21N3O3S2
Molecular Weight343.47 g/mol
Exact Mass343.10
IUPAC NameN-propyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
SMILESCCCNC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C14H21N3O3S2/c1-2-7-15-13(18)11-21-14-6-5-12(10-16-14)22(19,20)17-8-3-4-9-17/h5-6,10H,2-4,7-9,11H2,1H3,(H,15,18)
InChIKeyLYAULIIFPDSAKW-UHFFFAOYSA-N
XLogP1.48
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-propyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide (CID 7594067) is N-propyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-propyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-propyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide is CCCNC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1.
What is the InChIKey of N-propyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is LYAULIIFPDSAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S2/c1-2-7-15-13(18)11-21-14-6-5-12(10-16-14)22(19,20)17-8-3-4-9-17/h5-6,10H,2-4,7-9,11H2,1H3,(H,15,18).
What are the key properties of N-propyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide?
N-propyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 343.47 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 7594067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).