ethyl N-propylpyrrolidine-1-carboximidothioate

C10H20N2S — CID 19578573

IUPACethyl N-propylpyrrolidine-1-carboximidothioate
SMILESCCC/N=C(\SCC)N1CCCC1
InChIInChI=1S/C10H20N2S/c1-3-7-11-10(13-4-2)12-8-5-6-9-12/h3-9H2,1-2H3/b11-10-
InChIKeyRLGGHUXBNHRLAR-KHPPLWFESA-N
MW200.35 g/mol
LogP2.60
Rot. Bonds3

About ethyl N-propylpyrrolidine-1-carboximidothioate

ethyl N-propylpyrrolidine-1-carboximidothioate (PubChem CID 19578573) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is ethyl N-propylpyrrolidine-1-carboximidothioate.

Molecular Properties

Compound Nameethyl N-propylpyrrolidine-1-carboximidothioate
PubChem CID19578573
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Nameethyl N-propylpyrrolidine-1-carboximidothioate
SMILESCCC/N=C(\SCC)N1CCCC1
InChIInChI=1S/C10H20N2S/c1-3-7-11-10(13-4-2)12-8-5-6-9-12/h3-9H2,1-2H3/b11-10-
InChIKeyRLGGHUXBNHRLAR-KHPPLWFESA-N
XLogP2.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,3-dimethyl-1,3-thiazolidin-2-imine
CID 13914821
methyl N-cyanopyrrolidine-1-carbimidothioate
CID 12364829
2-Methylimino-3,5-dimethylthiazolidine
CID 12718849
Pyrrolidino-2,4-dimethyl-1,3,5-dithiazin
CID 129890637
N,N-diethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 12718866
5-Methyl-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazole;hydrobromide
CID 17389266
Cyanamide, (3-ethyl-2-thiazolidinylidene)-
CID 10888137
2-(Pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 12320961
methyl N-methylpyrrolidine-1-carboximidothioate
CID 12377315
2,3,5,6,7,8-Hexahydro-[1,3]thiazolo[3,2-a][1,3]diazepine
CID 12826604
ethyl N'-cyano-N,N-dipropylcarbamimidothioate
CID 53674436
N-methyl-3-propan-2-yl-1,3-thiazolidin-2-imine
CID 89097031

Frequently Asked Questions

What is the IUPAC name of ethyl N-propylpyrrolidine-1-carboximidothioate?
The IUPAC name of ethyl N-propylpyrrolidine-1-carboximidothioate (CID 19578573) is ethyl N-propylpyrrolidine-1-carboximidothioate.
What is the SMILES notation for ethyl N-propylpyrrolidine-1-carboximidothioate?
The canonical SMILES for ethyl N-propylpyrrolidine-1-carboximidothioate is CCC/N=C(\SCC)N1CCCC1.
What is the InChIKey of ethyl N-propylpyrrolidine-1-carboximidothioate?
The InChIKey is RLGGHUXBNHRLAR-KHPPLWFESA-N. The full InChI is InChI=1S/C10H20N2S/c1-3-7-11-10(13-4-2)12-8-5-6-9-12/h3-9H2,1-2H3/b11-10-.
What are the key properties of ethyl N-propylpyrrolidine-1-carboximidothioate?
ethyl N-propylpyrrolidine-1-carboximidothioate has a molecular weight of 200.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-propylpyrrolidine-1-carboximidothioate is sourced from PubChem (CID 19578573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).