1-oxo-N-(2-pyrrolidin-2-ylethyl)thietan-3-amine

C9H18N2OS — CID 84670976

IUPAC1-oxo-N-(2-pyrrolidin-2-ylethyl)thietan-3-amine
SMILESO=S1CC(NCCC2CCCN2)C1
InChIInChI=1S/C9H18N2OS/c12-13-6-9(7-13)11-5-3-8-2-1-4-10-8/h8-11H,1-7H2
InChIKeyNHQNOQCOHYAJLF-UHFFFAOYSA-N
MW202.32 g/mol
LogP-0.15
Rot. Bonds4

About 1-oxo-N-(2-pyrrolidin-2-ylethyl)thietan-3-amine

1-oxo-N-(2-pyrrolidin-2-ylethyl)thietan-3-amine (PubChem CID 84670976) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 1-oxo-N-(2-pyrrolidin-2-ylethyl)thietan-3-amine.

Molecular Properties

Compound Name1-oxo-N-(2-pyrrolidin-2-ylethyl)thietan-3-amine
PubChem CID84670976
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name1-oxo-N-(2-pyrrolidin-2-ylethyl)thietan-3-amine
SMILESO=S1CC(NCCC2CCCN2)C1
InChIInChI=1S/C9H18N2OS/c12-13-6-9(7-13)11-5-3-8-2-1-4-10-8/h8-11H,1-7H2
InChIKeyNHQNOQCOHYAJLF-UHFFFAOYSA-N
XLogP-0.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(2-pyrrolidin-2-ylethyl)piperidin-3-amine
CID 115210185
2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
CID 104972087
N-[3-[(2S)-piperidin-2-yl]propyl]cyclopropanamine
CID 94374891
(2S)-2-[2-(sulfamoylamino)ethyl]pyrrolidine
CID 104985745
1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea
CID 114794047
N-methyl-2-piperidin-2-ylethanamine
CID 13073020
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]cyclopentanecarboxamide
CID 104972065
1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
CID 104972281
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide
CID 104972266
N,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine
CID 18940745
N-(2-piperidin-2-ylethyl)propane-1-sulfonamide
CID 24703797

Frequently Asked Questions

What is the IUPAC name of 1-oxo-N-(2-pyrrolidin-2-ylethyl)thietan-3-amine?
The IUPAC name of 1-oxo-N-(2-pyrrolidin-2-ylethyl)thietan-3-amine (CID 84670976) is 1-oxo-N-(2-pyrrolidin-2-ylethyl)thietan-3-amine.
What is the SMILES notation for 1-oxo-N-(2-pyrrolidin-2-ylethyl)thietan-3-amine?
The canonical SMILES for 1-oxo-N-(2-pyrrolidin-2-ylethyl)thietan-3-amine is O=S1CC(NCCC2CCCN2)C1.
What is the InChIKey of 1-oxo-N-(2-pyrrolidin-2-ylethyl)thietan-3-amine?
The InChIKey is NHQNOQCOHYAJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c12-13-6-9(7-13)11-5-3-8-2-1-4-10-8/h8-11H,1-7H2.
What are the key properties of 1-oxo-N-(2-pyrrolidin-2-ylethyl)thietan-3-amine?
1-oxo-N-(2-pyrrolidin-2-ylethyl)thietan-3-amine has a molecular weight of 202.32 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N-(2-pyrrolidin-2-ylethyl)thietan-3-amine is sourced from PubChem (CID 84670976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).