4-chloro-N-(thiolan-3-yl)oxolan-3-amine

C8H14ClNOS — CID 164656487

IUPAC4-chloro-N-(thiolan-3-yl)oxolan-3-amine
SMILESClC1COCC1NC1CCSC1
InChIInChI=1S/C8H14ClNOS/c9-7-3-11-4-8(7)10-6-1-2-12-5-6/h6-8,10H,1-5H2
InChIKeyDGIVTUWEPYAKPB-UHFFFAOYSA-N
MW207.73 g/mol
LogP1.09
Rot. Bonds2

About 4-chloro-N-(thiolan-3-yl)oxolan-3-amine

4-chloro-N-(thiolan-3-yl)oxolan-3-amine (PubChem CID 164656487) has the molecular formula C8H14ClNOS and a molecular weight of 207.73 g/mol. Its IUPAC name is 4-chloro-N-(thiolan-3-yl)oxolan-3-amine.

Molecular Properties

Compound Name4-chloro-N-(thiolan-3-yl)oxolan-3-amine
PubChem CID164656487
Molecular FormulaC8H14ClNOS
Molecular Weight207.73 g/mol
Exact Mass207.05
IUPAC Name4-chloro-N-(thiolan-3-yl)oxolan-3-amine
SMILESClC1COCC1NC1CCSC1
InChIInChI=1S/C8H14ClNOS/c9-7-3-11-4-8(7)10-6-1-2-12-5-6/h6-8,10H,1-5H2
InChIKeyDGIVTUWEPYAKPB-UHFFFAOYSA-N
XLogP1.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.73
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2R)-2-methylcyclopropyl]thiolan-3-amine
CID 131110851
trans-(1R,2R)-2-(thiolan-3-ylamino)cyclohexan-1-ol
CID 104926602
2,2-dimethyl-N-(thiolan-3-yl)-1,3-dioxan-5-amine
CID 104585321
N-(2-methylcyclopentyl)thiolan-3-amine
CID 63277405
3-(thiolan-3-ylamino)cyclohexan-1-ol
CID 43751170
N-(2-ethylcyclopropyl)thiolan-3-amine
CID 103783743
[2-(thiolan-3-ylamino)cyclohexyl]methanol
CID 103784945
N-[2-(aminomethyl)cyclopentyl]thiolan-3-amine
CID 103062677
trans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol
CID 94887280
1-cyclopropyl-4-methyl-N-(thiolan-3-yl)pyrrolidin-3-amine
CID 115728200
N-(3-fluorocyclopentyl)thiolan-3-amine
CID 130614619
4-methyl-N-(thiolan-3-yl)piperazin-1-amine
CID 83010396

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(thiolan-3-yl)oxolan-3-amine?
The IUPAC name of 4-chloro-N-(thiolan-3-yl)oxolan-3-amine (CID 164656487) is 4-chloro-N-(thiolan-3-yl)oxolan-3-amine.
What is the SMILES notation for 4-chloro-N-(thiolan-3-yl)oxolan-3-amine?
The canonical SMILES for 4-chloro-N-(thiolan-3-yl)oxolan-3-amine is ClC1COCC1NC1CCSC1.
What is the InChIKey of 4-chloro-N-(thiolan-3-yl)oxolan-3-amine?
The InChIKey is DGIVTUWEPYAKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNOS/c9-7-3-11-4-8(7)10-6-1-2-12-5-6/h6-8,10H,1-5H2.
What are the key properties of 4-chloro-N-(thiolan-3-yl)oxolan-3-amine?
4-chloro-N-(thiolan-3-yl)oxolan-3-amine has a molecular weight of 207.73 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(thiolan-3-yl)oxolan-3-amine is sourced from PubChem (CID 164656487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).