(1R,3S,5R)-N-(thiolan-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

C10H16N2OS — CID 131019792

IUPAC(1R,3S,5R)-N-(thiolan-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NC1CCSC1)[C@@H]1C[C@H]2C[C@H]2N1
InChIInChI=1S/C10H16N2OS/c13-10(11-7-1-2-14-5-7)9-4-6-3-8(6)12-9/h6-9,12H,1-5H2,(H,11,13)/t6-,7?,8-,9+/m1/s1
InChIKeyWQLWQAPCSIDIBD-BNSCUJALSA-N
MW212.32 g/mol
LogP0.36
Rot. Bonds2

About (1R,3S,5R)-N-(thiolan-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

(1R,3S,5R)-N-(thiolan-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 131019792) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is (1R,3S,5R)-N-(thiolan-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,5R)-N-(thiolan-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID131019792
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name(1R,3S,5R)-N-(thiolan-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NC1CCSC1)[C@@H]1C[C@H]2C[C@H]2N1
InChIInChI=1S/C10H16N2OS/c13-10(11-7-1-2-14-5-7)9-4-6-3-8(6)12-9/h6-9,12H,1-5H2,(H,11,13)/t6-,7?,8-,9+/m1/s1
InChIKeyWQLWQAPCSIDIBD-BNSCUJALSA-N
XLogP0.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-N-(thiolan-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1R,3S,5R)-N-(thiolan-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 131019792) is (1R,3S,5R)-N-(thiolan-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1R,3S,5R)-N-(thiolan-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1R,3S,5R)-N-(thiolan-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is O=C(NC1CCSC1)[C@@H]1C[C@H]2C[C@H]2N1.
What is the InChIKey of (1R,3S,5R)-N-(thiolan-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is WQLWQAPCSIDIBD-BNSCUJALSA-N. The full InChI is InChI=1S/C10H16N2OS/c13-10(11-7-1-2-14-5-7)9-4-6-3-8(6)12-9/h6-9,12H,1-5H2,(H,11,13)/t6-,7?,8-,9+/m1/s1.
What are the key properties of (1R,3S,5R)-N-(thiolan-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1R,3S,5R)-N-(thiolan-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 212.32 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-N-(thiolan-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 131019792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).