5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide

C10H18N2O2S — CID 103063003

IUPAC5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide
SMILESNCC1CCC(C(=O)NC2CCSC2)O1
InChIInChI=1S/C10H18N2O2S/c11-5-8-1-2-9(14-8)10(13)12-7-3-4-15-6-7/h7-9H,1-6,11H2,(H,12,13)
InChIKeyBPMWCOGJXZTHEC-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.11
Rot. Bonds3

About 5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide

5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide (PubChem CID 103063003) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide
PubChem CID103063003
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide
SMILESNCC1CCC(C(=O)NC2CCSC2)O1
InChIInChI=1S/C10H18N2O2S/c11-5-8-1-2-9(14-8)10(13)12-7-3-4-15-6-7/h7-9H,1-6,11H2,(H,12,13)
InChIKeyBPMWCOGJXZTHEC-UHFFFAOYSA-N
XLogP0.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(thiolan-3-ylcarbamoyl)oxolane-2-carboxylic acid
CID 103062485
(2S,5R)-5-(aminomethyl)-N-(3,5-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120793763
(2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120793583
5-(aminomethyl)-N-(2-methyloxan-4-yl)oxolane-2-carboxamide
CID 114107782
(2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride
CID 120796425
5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]oxolane-2-carboxamide
CID 107221914
(2S,5R)-5-(aminomethyl)-N-(3-ethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120794013
(2S,5R)-5-(aminomethyl)-N-(4-butylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120789873
(2S,5R)-5-(aminomethyl)-N-(dicyclopropylmethyl)oxolane-2-carboxamide;hydrochloride
CID 120785367
(2S,5R)-5-(aminomethyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]oxolane-2-carboxamide;hydrochloride
CID 120791401
(2S,5R)-5-(aminomethyl)-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide
CID 120796128
(2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride
CID 120801529

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide (CID 103063003) is 5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide is NCC1CCC(C(=O)NC2CCSC2)O1.
What is the InChIKey of 5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide?
The InChIKey is BPMWCOGJXZTHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c11-5-8-1-2-9(14-8)10(13)12-7-3-4-15-6-7/h7-9H,1-6,11H2,(H,12,13).
What are the key properties of 5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide?
5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide has a molecular weight of 230.33 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide is sourced from PubChem (CID 103063003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).