N-(1-ethyl-4-methoxypyrrolidin-3-yl)sulfanylformamide

C8H16N2O2S — CID 142513188

IUPACN-(1-ethyl-4-methoxypyrrolidin-3-yl)sulfanylformamide
SMILESCCN1CC(OC)C(SNC=O)C1
InChIInChI=1S/C8H16N2O2S/c1-3-10-4-7(12-2)8(5-10)13-9-6-11/h6-8H,3-5H2,1-2H3,(H,9,11)
InChIKeyWNXMARUCPOYOAH-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.10
Rot. Bonds5

About N-(1-ethyl-4-methoxypyrrolidin-3-yl)sulfanylformamide

N-(1-ethyl-4-methoxypyrrolidin-3-yl)sulfanylformamide (PubChem CID 142513188) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-(1-ethyl-4-methoxypyrrolidin-3-yl)sulfanylformamide.

Molecular Properties

Compound NameN-(1-ethyl-4-methoxypyrrolidin-3-yl)sulfanylformamide
PubChem CID142513188
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-(1-ethyl-4-methoxypyrrolidin-3-yl)sulfanylformamide
SMILESCCN1CC(OC)C(SNC=O)C1
InChIInChI=1S/C8H16N2O2S/c1-3-10-4-7(12-2)8(5-10)13-9-6-11/h6-8H,3-5H2,1-2H3,(H,9,11)
InChIKeyWNXMARUCPOYOAH-UHFFFAOYSA-N
XLogP0.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-4-methoxypyrrolidin-3-yl)sulfanylformamide?
The IUPAC name of N-(1-ethyl-4-methoxypyrrolidin-3-yl)sulfanylformamide (CID 142513188) is N-(1-ethyl-4-methoxypyrrolidin-3-yl)sulfanylformamide.
What is the SMILES notation for N-(1-ethyl-4-methoxypyrrolidin-3-yl)sulfanylformamide?
The canonical SMILES for N-(1-ethyl-4-methoxypyrrolidin-3-yl)sulfanylformamide is CCN1CC(OC)C(SNC=O)C1.
What is the InChIKey of N-(1-ethyl-4-methoxypyrrolidin-3-yl)sulfanylformamide?
The InChIKey is WNXMARUCPOYOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-3-10-4-7(12-2)8(5-10)13-9-6-11/h6-8H,3-5H2,1-2H3,(H,9,11).
What are the key properties of N-(1-ethyl-4-methoxypyrrolidin-3-yl)sulfanylformamide?
N-(1-ethyl-4-methoxypyrrolidin-3-yl)sulfanylformamide has a molecular weight of 204.29 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-4-methoxypyrrolidin-3-yl)sulfanylformamide is sourced from PubChem (CID 142513188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).